SCHEMBL11267038

SCHEMBL11267038

COC1CSC2=C(SC1)C(=O)N(c1ccc(Cl)cn1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 1/20 0.39
AGTR1 P30556 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
RECQL P46063 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34

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
SCHEMBL11275928 0.81 HRH3 (0.40) MEN1KMT2AGAA
SCHEMBL11833807 0.81 NPC1 (0.51) NPC1MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL11260218 0.80 MAPT (0.39) NPC1MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL11260968 0.72 RECQL (0.34) RECQL
SCHEMBL11263670 0.72 MAPT (0.42) NPC1MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL11266410 0.71 TSHR (0.63) MAPTALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL22153203 0.70 PDE10A (0.46) KMT2AGPR119CNR2
SCHEMBL11584879 0.70 NPC1 (0.68) NPC1MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL11668633 0.69 NPC1 (0.43) NPC1MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL29738590 0.67 NPC1 (0.55) NPC1MAPTALDH1A1SMN1; SMN2NPSR1

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
US-4327095-A TRANQUICIZERS, ANTICONVULSANTS DECONTRACTURANTS AND HYPNOGENIC AGENTS RHONE-POULENC INDUSTRIES (FR) 1982-04-27 US disclosed