SCHEMBL8805925

SCHEMBL8805925

Cc1c(CC(=O)Nc2ccncc2)c2cc(Cl)ccc2n1Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.54
▸ LMNA P02545 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ PMP22 Q01453 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ BLM P54132 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ PLA2G2A P14555 5/20 0.52
▸ PTGS2 P35354 1/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ RGS12 O14924 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ PKM P14618 1/20 0.48

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
SCHEMBL8804947 0.93 KDM4E (0.54) MAPTLMNACYP1A2CYP3A4CYP2C9
SCHEMBL9055101 0.88 LMNA (0.69) MAPTLMNACYP1A2CYP3A4CYP2C9
SCHEMBL8805294 0.88 KDM4E (0.49) MAPTLMNACYP1A2CYP3A4CYP2C9
SCHEMBL9054194 0.87 PTGDR2 (0.56) MAPTLMNACYP1A2CYP3A4CYP2C9
SCHEMBL8805785 0.79 YES1 (0.59) NPC1RAB9A
SCHEMBL3010246 0.79 RAB9A (0.49) MAPTKDM4EPLA2G2APTGS2NPC1
SCHEMBL8418121 0.78 PLA2G2A (0.53) PLA2G2AMEN1KMT2A
SCHEMBL16222850 0.77 RAB9A (0.55) LMNAPLA2G2APTGS2NPC1RAB9A
SCHEMBL2168842 0.77 FAAH (0.64) MAPTCYP1A2CYP3A4CYP2C9TSHR
SCHEMBL3001909 0.76 FAAH (0.68) MAPTLMNANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775131-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA Medica Aktiengesellschaft (DE) 1997-05-28 — — EP disclosed
WO-1996004266-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1996-02-15 — — WO disclosed
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