SCHEMBL7121515

SCHEMBL7121515

CCCCCOc1c(C(=O)Nc2nnn[nH]2)sc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 1/20 0.44
▸ MAPT P10636 10/20 0.41
▸ ALDH1A1 P00352 7/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ NPC1 O15118 11/20 0.41
▸ RAB9A P51151 11/20 0.41
▸ SENP5 Q96HI0 3/20 0.40
▸ SENP2 Q9HC62 3/20 0.40
▸ SENP1 Q9P0U3 3/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ SMN1; SMN2 Q16637 8/20 0.39
▸ TP53 P04637 4/20 0.39
▸ THRB P10828 1/20 0.39
▸ HPGD P15428 3/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10372782 0.85 F10 (0.46) CXCR2MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL9249134 0.82 MPO (0.50) MAPTALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL8225601 0.79 NPC1 (0.43) MAPTALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL10815290 0.77 NPC1 (0.62) MAPTALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL10372978 0.76 MPO (0.52) MAPTALDH1A1CYP1A2NPC1RAB9A
SCHEMBL4651635 0.76 LMNA (0.55) CXCR2MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL4651710 0.75 CXCR2 (0.51) CXCR2MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL4652888 0.75 CXCR2 (0.51) CXCR2MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL4651616 0.75 CXCR2 (0.51) CXCR2MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL4650948 0.75 PLK1 (0.60) CXCR2MAPTALDH1A1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765668-B1 Extract of Iridaceas and compositions containing it OREAL (FR) 1999-03-17 — — EP claimed
EP-0761204-B1 Use of extracts of filamentous, non photosynthetic bacteria and the composition containing them OREAL (FR) 1998-04-15 — — EP claimed
EP-0765668-A1 Extract of Iridaceas and composition containing it L'OREAL (FR) 1997-04-02 — — EP claimed
EP-0761204-A1 Use of extracts of filamentous, non photosynthetic bacteria and the composition containing them L'OREAL (FR) 1997-03-12 — — EP claimed
EP-0729750-B1 Alpha-TNF antagonists in a cosmetic, pharmaceutical or dermatological composition. OREAL (FR) 2004-03-24 — — EP disclosed
EP-0717997-B1 Use of substance P antagonist in pharmaceutical composition OREAL (FR) 2001-08-16 — — EP disclosed
EP-0722736-B1 Topical composition containing an antagonist of substance P OREAL (FR) 2001-01-31 — — EP disclosed
US-6146636-A ADMINISTERING A PATIENT FOR TREATMENT OF A DISEASE STATE, DISORDER, CONDITION OR AFFLICTION ENTAILING AN EXCESSIVE SYNTHESIS OR RELEASE OF SUBSTANCE P, AN EFFECTIVE AMOUNT OF ROSACEAE FAMILY PLANT EXTRACT AS SUBSTANCE P ANTAGONIST SOCIETE L'OREAL S.A. (FR) 2000-11-14 — — US disclosed
US-5972892-A FOR REDUCING OR ELIMINATING THE SKIN IRRITANT SIDE-EFFECT OF A THERAPEUTIC COMPOSITION; A STABILIZER FOR DESENSITIZATION L'OREAL (FR) 1999-10-26 — — US disclosed
US-5824650-A ANTIINFLAMMATORY AGENTS FOR SKIN BY APPLYING TOPICALLY SUBSTANCE P ANTAGONIST L'OREAL (FR) 1998-10-20 — — US disclosed
US-5744156-A TOPICALLY APPLYING COMPOSITION CONTAINING SUBSTANCE P ANTAGONIST TO TREAT ROSACEA, PUDIC ERYTHEMA SOCIETE L'OREAL S.A. (FR) 1998-04-28 — — US disclosed
EP-0729750-A1 Use of an interleukin-1 antagonist and/or alpha-TNF antagonist in a cosmetic, pharmaceutical or dermatological composition, and the composition therefrom, possibly used in combination with a histamine antagonist L'OREAL (FR) 1996-09-04 — — EP disclosed
EP-0722736-A1 Topical composition containing an antagonist of substance P L'OREAL (FR) 1996-07-24 — — EP disclosed
EP-0717997-A1 Use of substance P antagonist in pharmaceutical composition L'OREAL (FR) 1996-06-26 — — EP disclosed
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