SCHEMBL28820176

SCHEMBL28820176

NCCc1nc2ccccc2c(=O)n1Nc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
PDE10A Q9Y233 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GLA P06280 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 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
SCHEMBL28019829 0.91 LMNA (0.50) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL29871249 0.77 NPC1 (0.53) NPC1RAB9ACTDSP1RXFP1TDP1
SCHEMBL28103595 0.76 NPC1 (0.44) NPC1RAB9ACTDSP1RXFP1TDP1
SCHEMBL28103598 0.76 NPC1 (0.44) NPC1RAB9ACTDSP1RXFP1TDP1
SCHEMBL15819241 0.75 PDE10A (0.53) NPC1RAB9ALMNASMN1; SMN2PDE10A
SCHEMBL28820129 0.75 PIK3CD (0.45) LMNASMN1; SMN2PDE10AALDH1A1KDM4E
SCHEMBL14743414 0.73 SMN1; SMN2 (0.69) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL1484185 0.70 ALDH1A1 (0.66) NPC1RAB9ALMNASMN1; SMN2PDE10A
SCHEMBL15818541 0.70 HTR7 (0.50) NPC1RAB9ASMN1; SMN2PDE10AALDH1A1
SCHEMBL4237386 0.69 LMNA (0.53) LMNASMN1; SMN2ALDH1A1NPSR1L3MBTL1

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-104768952-A PI3K inhibitors KBP BIOSCIENCES CO LTD 2015-07-08 CN disclosed