SCHEMBL21100475

SCHEMBL21100475

Cc1ncc(C(=O)NCCCc2ccc(-c3ccc(N)c(C=N)c3C)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 1/20 0.38
NAMPT P43490 1/20 0.37
AKT3 Q9Y243 1/20 0.36
PSMB10 P40306 2/20 0.36
PSMB2 P49721 2/20 0.36
HDAC3 O15379 6/20 0.35
HDAC4 P56524 6/20 0.35
HDAC1 Q13547 6/20 0.35
HDAC7 Q8WUI4 6/20 0.35
HDAC2 Q92769 6/20 0.35
HDAC10 Q969S8 6/20 0.35
HDAC11 Q96DB2 6/20 0.35
HDAC8 Q9BY41 6/20 0.35
HDAC6 Q9UBN7 6/20 0.35
HDAC9 Q9UKV0 6/20 0.35

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
SCHEMBL21100474 0.81 P2RX7 (0.42) NPC1RAB9ASMN1; SMN2USP2CNR1
SCHEMBL21045128 0.77 NPC1 (0.39) NPC1RAB9ASMN1; SMN2USP2L3MBTL1
SCHEMBL21045185 0.76 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2USP2L3MBTL1
SCHEMBL29411475 0.76 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2USP2L3MBTL1
SCHEMBL29411613 0.72 NPC1 (0.42) NPC1RAB9ASMN1; SMN2USP2L3MBTL1
SCHEMBL21045597 0.72 NPC1 (0.42) NPC1RAB9ASMN1; SMN2USP2L3MBTL1
SCHEMBL29411494 0.72 HDAC3 (0.47) NPC1RAB9ASMN1; SMN2USP2L3MBTL1
SCHEMBL21045144 0.72 HDAC3 (0.47) NPC1RAB9ASMN1; SMN2USP2L3MBTL1
SCHEMBL21100616 0.70 NPC1 (0.43) NPC1RAB9ASMN1; SMN2USP2L3MBTL1
SCHEMBL21045385 0.70 NPC1 (0.41) NPC1RAB9ASMN1; SMN2USP2L3MBTL1

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-2019113242-A1 TUBULIN INHIBITORS Lin BioScience, LLC (US) 2019-06-13 WO disclosed