SCHEMBL13513997

SCHEMBL13513997

C/C=N\C(=N)NC(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ EPHX1 P07099 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ EPHX2 P34913 1/20 0.50
▸ CDK9 P50750 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50
▸ TAAR1 Q96RJ0 3/20 0.46
▸ CASP3 P42574 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAOA P21397 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ NAPRT Q6XQN6 1/20 0.43
▸ KDM4E B2RXH2 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
SCHEMBL14543949 0.77 SMN1; SMN2 (0.35) KMT2AMEN1SMN1; SMN2TP53MAPT
SCHEMBL11674215 0.76 SMN1; SMN2 (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2914537 0.75 NAPRT (0.52) NPC1RAB9AKMT2ASMN1; SMN2TP53
SCHEMBL10401175 0.74 SMN1; SMN2 (0.80) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL21511125 0.74 SMN1; SMN2 (0.59) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL11238734 0.73 SMN1; SMN2 (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL17211904 0.73 RAB9A (0.58) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL9811717 0.73 RAB9A (0.58) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL11679352 0.73 SMN1; SMN2 (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL15791126 0.73 RAB9A (0.58) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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
EP-1663211-B1 AMINOTRIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-01-20 — — EP disclosed
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