SCHEMBL10077922

SCHEMBL10077922

CCN(CC)c1ccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 1.00
LMNA P02545 5/20 1.00
TSHR P16473 7/20 0.78
SMN1; SMN2 Q16637 6/20 0.78
HTT P42858 5/20 0.78
USP2 O75604 4/20 0.78
RAB9A P51151 3/20 0.78
NPC1 O15118 2/20 0.78
KDM4E B2RXH2 6/20 0.72
HSD17B10 Q99714 5/20 0.72
HPGD P15428 5/20 0.72
ALDH1A1 P00352 3/20 0.72
POLB P06746 1/20 0.72
NPSR1 Q6W5P4 3/20 0.70
TP53 P04637 3/20 0.69
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
RXFP1 Q9HBX9 3/20 0.63
MAPK1 P28482 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63

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
SCHEMBL16689211 0.82 TSHR (0.75) MAPTLMNATSHRSMN1; SMN2HTT
SCHEMBL1034707 0.81 LMNA (0.85) MAPTLMNATSHRSMN1; SMN2HTT
SCHEMBL1035429 0.79 MAPT (0.65) MAPTLMNATSHRSMN1; SMN2HTT
SCHEMBL1035519 0.74 MAPT (0.69) MAPTLMNATSHRSMN1; SMN2HTT
SCHEMBL1034600 0.71 MAPT (0.55) MAPTLMNATSHRSMN1; SMN2HTT
SCHEMBL5553168 0.68 RAB9A (0.65) MAPTLMNATSHRSMN1; SMN2HTT
SCHEMBL27361298 0.68 RAB9A (0.57) MAPTLMNATSHRSMN1; SMN2HTT
SCHEMBL19995013 0.68 GHSR (1.00) MAPTLMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL1033769 0.68 MAPT (0.78) MAPTLMNATSHRSMN1; SMN2USP2
SCHEMBL1034706 0.67 TP53 (1.00) MAPTLMNATSHRSMN1; SMN2HTT

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-2012016133-A2 ROS1 KINASE INHIBITORS FOR THE TREATMENT OF GLIOBLASTOMA AND OTHER P53-DEFICIENT CANCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-02 WO disclosed