SCHEMBL18230397

SCHEMBL18230397

Cc1cc(C(=O)Nc2nc(-c3ccccn3)c(C#N)s2)c(C)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ RAB9A P51151 8/20 0.46
▸ NPC1 O15118 7/20 0.46
▸ HPGD P15428 3/20 0.46
▸ RECQL P46063 1/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ MAPT P10636 4/20 0.46
▸ TP53 P04637 2/20 0.46
▸ BRCA1 P38398 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ TSHR P16473 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ ADORA2A P29274 3/20 0.45
▸ ADORA1 P30542 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL18230488 0.81 ADORA2A (0.46) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL18230482 0.79 CASP3 (0.56) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL18230342 0.78 ADORA2A (0.44) KDM4EKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL19638116 0.78 ADORA2A (0.54) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL18230414 0.78 ADORA2A (0.51) KDM4ESMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL18230233 0.77 ADORA2A (0.48) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL18230254 0.77 TRPV4 (0.52) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL18230294 0.77 TRPV1 (0.54) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL18236379 0.77 ADORA2A (0.50) KDM4EKMT2AMEN1POLBRAB9A
SCHEMBL18230439 0.77 LMNA (0.53) KDM4EKMT2AMEN1RAB9ANPC1

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
WO-2016183173-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions (US) 2016-11-17 — — WO disclosed
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