SCHEMBL8806095

SCHEMBL8806095

Cc1[nH]c2ccc(Cl)cc2c1CC(=O)Nc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.53
▸ RAB9A P51151 2/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ POLB P06746 2/20 0.50
▸ PRSS1 P07477 1/20 0.48
▸ PRSS2 P07478 1/20 0.48
▸ PRSS3 P35030 1/20 0.48
▸ KLK6 Q92876 1/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ EPHB2 P29323 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ HTR2B P41595 1/20 0.46

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
SCHEMBL8805405 0.86 MAPT (0.54) NTRK1RAB9APOLBMEN1KMT2A
SCHEMBL8807102 0.84 AKR1C2 (0.63) NTRK1POLBMEN1KMT2AMAPT
SCHEMBL8806561 0.81 SIRT1 (0.56) NTRK1RAB9ANPC1POLBMEN1
SCHEMBL1757962 0.77 KDM4E (0.73) POLBPRSS1PRSS2PRSS3KLK6
SCHEMBL1757929 0.76 AKR1C2 (0.54) POLBPRSS1PRSS2PRSS3KLK6
SCHEMBL8804504 0.76 NPC1 (0.54) NTRK1RAB9ANPC1TSHRMAPT
SCHEMBL5210674 0.76 MAPT (0.54) NTRK1POLBPRSS1PRSS2PRSS3
SCHEMBL8296306 0.73 PRSS1 (0.55) PRSS1PRSS2PRSS3KLK6MEN1
SCHEMBL3306868 0.71 MEN1 (0.68) POLBMEN1KMT2ATSHRMAPT
SCHEMBL8806089 0.71 CNR1 (0.45) RAB9ANPC1EPHB2ALDH1A1SIRT1

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 1 patent. 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
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