SCHEMBL8805650

SCHEMBL8805650

[CH2]Cc1c(Cc2ccccc2)n(-c2cccnc2)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.41
▸ ALOX12 P18054 1/20 0.39
▸ PDE7A Q13946 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ HTR2C P28335 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ METAP2 P50579 1/20 0.34
▸ GSR P00390 1/20 0.34

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
SCHEMBL8805724 0.90 REN (0.40) RENALOX12PDE7ACYP1A2ALDH1A1
SCHEMBL8804502 0.86 REN (0.41) RENPDE7AALDH1A1RAB9AKDM4E
SCHEMBL8804876 0.74 REN (0.39) RENALDH1A1RAB9AKDM4EATM
SCHEMBL16484319 0.73 KDM4E (0.59) ALOX12CYP1A2RAB9AMDM2KDM4E
SCHEMBL8804561 0.72 ALOX12 (0.46) ALOX12CYP1A2ALDH1A1CYP2C9HPGD
SCHEMBL19359918 0.71 L3MBTL1 (0.53) ALOX12PDE7ACYP1A2ALDH1A1RAB9A
SCHEMBL17989838 0.68 L3MBTL1 (0.53) ALOX12PDE7ACYP1A2ALDH1A1RAB9A
SCHEMBL23438634 0.68 KDM4E (0.52) ALOX12CYP1A2RAB9AMDM2KDM4E
SCHEMBL15630907 0.68 ALOX12 (0.46) ALOX12CYP1A2RAB9AMDM2KDM4E
SCHEMBL12091851 0.68 ABCB1 (0.51) ALOX12CYP1A2ALDH1A1CYP2C9HPGD

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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