SCHEMBL9524943

SCHEMBL9524943

Cc1csc(-c2nc3n(c2-c2ccccc2)CCC3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
PDE10A Q9Y233 1/20 0.43
MEN1 O00255 2/20 0.41
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
BCHE P06276 1/20 0.40
CFTR P13569 1/20 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
SCHEMBL7352500 0.90 PDE10A (0.51) TGFBR1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL11473387 0.87 SMN1; SMN2 (0.39) TGFBR1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL9700106 0.86 PDE10A (0.47) TGFBR1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL9524516 0.84 PDE10A (0.41) TGFBR1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7377237 0.80 PDE10A (0.51) TGFBR1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL11485609 0.79 TGFBR1 (0.57) TGFBR1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL9752587 0.76 PDE10A (0.60) TGFBR1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7370178 0.75 TGFBR1 (0.38) TGFBR1NPC1RAB9ASMN1; SMN2PDE10A
SCHEMBL11474630 0.75 HPGD (0.54) TGFBR1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7376928 0.75 PDE10A (0.46) TGFBR1ALDH1A1KDM4ENPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0561898-A1 NOVEL PROCESS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-09-29 EP claimed
WO-1992010499-A1 NOVEL PROCESS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-06-25 WO claimed