SCHEMBL9597948

SCHEMBL9597948

Cc1nc2sc3c(c2c(N)c1C(=O)O)CCCCC3

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
MAPT P10636 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
NPC1 O15118 4/20 0.55
HTT P42858 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
NPY1R P25929 1/20 0.55
OPRK1 P41145 1/20 0.52
KDM4E B2RXH2 3/20 0.52
ATM Q13315 2/20 0.52
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL618092 0.99 MAPT (0.54) RAB9AMAPTSMN1; SMN2NPC1HTT
SCHEMBL8510497 0.84 KMT2A (0.49) MAPTALDH1A1POLBKDM4EHSD17B10
SCHEMBL3475677 0.83 KMT2A (0.48) MAPTALDH1A1POLBKDM4EHSD17B10
SCHEMBL6120513 0.83 KMT2A (0.48) MAPTALDH1A1POLBKDM4EHSD17B10
SCHEMBL620485 0.83 GABRP (0.66) MAPTSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL4058993 0.81 SMN1; SMN2 (0.47) RAB9AMAPTSMN1; SMN2NPC1HTT
SCHEMBL9598974 0.81 ADORA1 (0.44) RAB9AMAPTSMN1; SMN2NPC1HTT
SCHEMBL9599417 0.80 KDM4E (0.57) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL9598196 0.79 ADORA1 (0.43) MAPTSMN1; SMN2NPC1HTTALDH1A1
SCHEMBL9597904 0.78 BPTF (0.46) MAPTHTTALDH1A1LMNAPOLB

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-1993013104-A1 C.N.S. ACTIVE TRICYCLIC THIENOPYRIDINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1993-07-08 WO disclosed