SCHEMBL12420296

SCHEMBL12420296

CCC(c1ccccc1)n1cnc2cc(NC(=O)c3ccc(NC(=N)N)cc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.49
RAB9A P51151 12/20 0.49
SMN1; SMN2 Q16637 7/20 0.46
TP53 P04637 4/20 0.46
LMNA P02545 1/20 0.45
F10 P00742 3/20 0.44
F2 P00734 2/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
F9 P00740 1/20 0.41
POLB P06746 1/20 0.40
PRSS1 P07477 1/20 0.40
PPARG P37231 2/20 0.40

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
SCHEMBL12419733 0.93 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL12420209 0.93 F10 (0.44) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2297559 0.91 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL12421963 0.90 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL12419731 0.89 RAB9A (0.46) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2299707 0.89 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL12420237 0.86 RAB9A (0.51) NPC1RAB9AKMT2AMEN1PPARG
SCHEMBL12420946 0.85 KHK (0.44) NPC1RAB9AF10F2KMT2A
SCHEMBL2296240 0.84 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2300721 0.83 F10 (0.44) NPC1RAB9ASMN1; SMN2TP53F10

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-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed