SCHEMBL9569396

SCHEMBL9569396

Clc1ccccc1-c1cn2c(n1)sc1ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
F2RL3 Q96RI0 1/20 0.48
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
FLT3 P36888 1/20 0.39
CYP2C9 P11712 1/20 0.37

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
SCHEMBL29924941 0.84 CA12 (0.47) THRBF2RL3MAPTLMNATP53
SCHEMBL11012603 0.84 THRB (0.51) THRBMAPTLMNATP53TSHR
SCHEMBL24105988 0.82 THRB (0.50) THRBF2RL3MAPTLMNATP53
SCHEMBL2564592 0.79 THRB (0.56) THRBF2RL3MAPTLMNATP53
SCHEMBL24105970 0.79 CA12 (0.52) THRBF2RL3MAPTLMNATP53
SCHEMBL11011714 0.79 MAPT (0.52) THRBMAPTLMNATP53TSHR
SCHEMBL84416 0.78 RAB9A (0.64) THRBMAPTLMNATP53TSHR
Bromide SCHEMBL11011059 0.78 MAPT (0.51) THRBMAPTLMNATP53TSHR
SCHEMBL11010261 0.78 THRB (0.49) THRBMAPTLMNATP53TSHR
SCHEMBL20893213 0.78 TNKS2 (0.50) THRBMAPTLMNATP53TSHR

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
EP-0524055-A1 Imidazo(2,1-b)benzothiazole-3-acetamide derivatives, process for their preparation and their therapeutical use SYNTHELABO (FR) 1993-01-20 EP disclosed