SCHEMBL7468153

SCHEMBL7468153

Nc1nc(-c2ccc(OCC(=O)NCC3CCCCC3)cc2)cs1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ HPGD P15428 1/20 0.47
▸ FAAH O00519 5/20 0.46
▸ ACHE P22303 5/20 0.46
▸ BCHE P06276 3/20 0.46
▸ MAPT P10636 2/20 0.43
▸ PTBP1 P26599 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CPT1A P50416 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CPT2 P23786 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CPT1B Q92523 1/20 0.41
▸ LTA4H P09960 1/20 0.41

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
SCHEMBL7468566 0.76 RAB9A (0.55) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL7473221 0.75 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL22413647 0.74 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2LMNAHPGDFAAH
SCHEMBL5240163 0.73 GABRA5 (0.50) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL2749781 0.72 CNR1 (0.48) ALDH1A1SMN1; SMN2LMNAHPGDFAAH
SCHEMBL7467047 0.69 RAB9A (0.52) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL15553657 0.69 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2LMNAHPGDFAAH
SCHEMBL10520818 0.69 HPGD (0.48) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL15269495 0.69 FAAH (0.54) ALDH1A1SMN1; SMN2LMNAFAAHACHE
SCHEMBL366845 0.68 RAB9A (0.54) ALDH1A1SMN1; SMN2LMNAMAPTNPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871619-B1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMA (US) 2002-11-06 — — EP disclosed
US-6057451-A AMINOTHIAZOLE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-05-02 — — US disclosed
EP-0871619-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1998-10-21 — — EP disclosed
WO-1997024343-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-07-10 — — WO disclosed
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