SCHEMBL29496272

SCHEMBL29496272

CCc1nc(N)ccc1-c1cc2ccccc2n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.46
▸ KDM4E B2RXH2 6/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HPGD P15428 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KLK7 P49862 1/20 0.41
▸ FGFR1 P11362 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38

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
SCHEMBL2736778 0.72 DAO (0.61) DAOKDM4EKMT2ASMN1; SMN2DDB1
SCHEMBL13757029 0.72 DAO (0.53) DAOKDM4EKMT2AHPGDLMNA
SCHEMBL22969446 0.71 GABRP (0.38) KMT2AMAPK1GABRPGABRDGABRA1
SCHEMBL29495952 0.71 GABRP (0.38) KMT2AMAPK1GABRPGABRDGABRA1
SCHEMBL3138039 0.71 DAO (0.46) DAOKDM4EKMT2AHPGDLMNA
SCHEMBL29496012 0.71 NPC1 (0.51) KDM4EKMT2AALDH1A1ATMMEN1
SCHEMBL10757723 0.70 DAO (0.59) DAOKDM4EKMT2AHPGDLMNA
SCHEMBL30349848 0.70 DAO (0.62) DAOKDM4EKMT2AHPGDMAPT
SCHEMBL8538250 0.70 DAO (0.62) DAOKDM4EKMT2AHPGDMAPT
SCHEMBL17025698 0.70 DAO (0.54) DAOKDM4EKMT2AHPGDLMNA

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
CN-114269730-A 5-heteroaryl-pyridin-2-amine compounds as neuropeptide FF receptor antagonists 多曼治疗学公司 2022-04-01 — — CN disclosed
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