SCHEMBL14044113

SCHEMBL14044113

Cc1cc(C(=O)c2ccccn2)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ DAO P14920 1/20 0.51
▸ HCAR2 Q8TDS4 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ NAPRT Q6XQN6 1/20 0.46
▸ P4HTM Q9NXG6 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ RAB9A P51151 1/20 0.43
▸ HSD17B14 Q9BPX1 1/20 0.43
▸ GSK3B P49841 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ WNT3A P56704 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL28875184 0.82 HCAR2 (0.72) LMNADAOHCAR2KMT2AALDH1A1
Water SCHEMBL6228901 0.80 KMT2A (0.72) KDM4ELMNAKMT2AALDH1A1CES2
SCHEMBL31369148 0.78 KMT2A (0.75) KDM4ELMNAKMT2AALDH1A1CES2
SCHEMBL87791 0.78 KMT2A (0.75) KDM4ELMNAKMT2AALDH1A1CES2
SCHEMBL31369119 0.76 KMT2A (0.72) KDM4ELMNAKMT2AALDH1A1CES2
Charcoal, Activated SCHEMBL8358164 0.76 KMT2A (0.72) KDM4ELMNAKMT2AALDH1A1CES2
Hydrochloric Acid SCHEMBL27723543 0.76 KMT2A (0.72) KDM4ELMNAKMT2AALDH1A1CES2
SCHEMBL13184406 0.76 KMT2A (0.49) KDM4ELMNAKMT2AALDH1A1CES2
Acetic Acid SCHEMBL28040553 0.75 KMT2A (0.70) KDM4ELMNAKMT2AALDH1A1CES2
Alcohol SCHEMBL9405122 0.73 KMT2A (0.62) KDM4ELMNAKMT2AALDH1A1CES2

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-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 — — US disclosed
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