SCHEMBL11268435

SCHEMBL11268435

COC1CSC2=C(SC1)C(OC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)N(c1ccc3ccc(Cl)nc3n1)C2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
CKS1B P61024 2/20 0.34
SKP1 P63208 2/20 0.34
SKP2 Q13309 2/20 0.34
POLB P06746 1/20 0.34
PRMT5 O14744 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
GBA1 P04062 1/20 0.33
STS P08842 2/20 0.32

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
SCHEMBL11268377 0.89 MAPT (0.35) ADORA3MAPTRECQLGABRA1GABRA3
SCHEMBL11266878 0.89 ADORA3 (0.35) ADORA3MAPTRECQLGABRA1GABRA3
SCHEMBL11272700 0.89 ADORA3 (0.34) ADORA3MAPTRECQLGABRA1GABRA3
SCHEMBL11262906 0.82 ADORA3 (0.42) ADORA3MAPTRECQLGABRA1GABRA3
SCHEMBL11266274 0.82 ADORA3 (0.40) ADORA3MAPTRECQLGABRA1GABRA3
SCHEMBL11488469 0.80 GPR119 (0.39) ADORA3MAPTRECQLGABRA1GABRA3
SCHEMBL11486094 0.80 ADORA3 (0.37) ADORA3MAPTRECQLGABRA1GABRA3
Suriclone SCHEMBL114688 0.80 ADORA3 (0.45) ADORA3MAPTRECQLGABRA1GABRA3
SCHEMBL11266030 0.79 FPR2 (0.30)
Suproclone SCHEMBL113028 0.78 MAPT (0.36) ADORA3MAPTRECQLGABRA1GABRA3

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