SCHEMBL10567164

SCHEMBL10567164

N#CCc1ccc(Cc2ccccc2)c(N)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.40
▸ BCL2 P10415 1/20 0.39
▸ BCL2L1 Q07817 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ MMP3 P08254 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ FFAR1 O14842 2/20 0.37
▸ EGFR P00533 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ CALM1 P0DP23 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL11765293 0.85 MAPT (0.42) ENPP2KDM4E
SCHEMBL10454613 0.77 FFAR1 (0.41) ENPP2BCL2BCL2L1ALOX5MMP3
SCHEMBL625190 0.76 CALM1 (0.57) ENPP2MMP3CALM1KDM4ETDP1
SCHEMBL27675231 0.75 ALDH1A1 (0.48) ENPP2MMP3KDM4ETDP1
SCHEMBL7557664 0.74 ENPP2 (0.52) ENPP2MMP3FFAR1CALM1KDM4E
SCHEMBL1514183 0.74 HTR2A (0.48) BCL2BCL2L1ALOX5HTR2ACALM1
SCHEMBL7999091 0.74 ENPP2 (0.41) ENPP2MMP3FFAR1KDM4ETDP1
SCHEMBL28594265 0.73 AKR1B1 (0.52) BCL2BCL2L1ALOX5FFAR1KDM4E
SCHEMBL10410523 0.73 APP (0.46) EGFRTDP1
SCHEMBL31596156 0.72 HTR2A (0.50) BCL2BCL2L1ALOX5HTR2AFFAR1

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
US-4874763-A ANTIARRHYTHMIA AGENTS ROEHM GMBH CHEMISCHE FABRIK (DE) 1989-10-17 — — US disclosed
EP-0318795-A2 Pharmaceutically active pteridin derivatives Röhm GmbH (DE) 1989-06-07 — — EP disclosed
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