SCHEMBL14044077

SCHEMBL14044077

Cc1cc(C(=O)c2cc(C)[nH]n2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.50
▸ HCAR2 Q8TDS4 1/20 0.50
▸ LMNA P02545 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALPL P05186 2/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37

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
SCHEMBL3356107 0.79 UHRF1 (0.50) LMNAKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL28875184 0.77 HCAR2 (0.72) DAOHCAR2LMNASMN1; SMN2MEN1
SCHEMBL14044113 0.73 KDM4E (0.53) DAOHCAR2LMNAKDM4ESMN1; SMN2
SCHEMBL14044140 0.72 CCR9 (0.38) UHRF1
SCHEMBL14139367 0.72 ALDH1A1 (0.34) CYP3A4CYP2C9CYP2C19ALDH1A1GAA
SCHEMBL16139761 0.71 KMT2A (0.57) LMNAKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL13184263 0.71 BAZ2B (0.47) KDM4EKMT2AALPLRAB9ANPC1
SCHEMBL2321608 0.71 DHODH (0.49) DAOHCAR2MEN1KMT2ARAB9A
SCHEMBL28424649 0.71 DAO (0.49) DAOHCAR2LMNAKDM4ESMN1; SMN2
SCHEMBL353289 0.70 KDM4C (0.61) KDM4EALDH1A1UHRF1

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
US-7435830-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 — — US disclosed
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