SCHEMBL3630896

SCHEMBL3630896

O=[C]c1sc2cc3c(Cl)c([C]=O)sc3cc2c1Cl

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.33
BCL2L1 Q07817 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32
BCKDK O14874 2/20 0.32
PRNP P04156 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
PPARG P37231 1/20 0.31
HTT P42858 1/20 0.31
MAPK10 P53779 1/20 0.31
NCOA2 Q15596 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL15276658 0.65 MCL1 (0.37) MCL1BCL2L1RXFP1BCKDKPRNP
SCHEMBL1254412 0.62 MCL1 (0.51) MCL1BCL2L1RXFP1BCKDKPRNP
SCHEMBL9507633 0.53 AHR (0.39) TSHRMAPK1
SCHEMBL4920561 0.52 CD44 (0.42) MCL1BCL2L1
SCHEMBL396243 0.52
SCHEMBL2961087 0.52
SCHEMBL13342900 0.52 CD44 (0.42) MCL1BCL2L1TSHR
SCHEMBL15281532 0.52 GPR35 (0.38)
SCHEMBL1312947 0.52 CYP3A4 (0.47) MCL1TSHRMAPK1HTT
SCHEMBL1312095 0.52 ALDH1A1 (0.45) TSHRMAPK1

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-2248840-A1 CONDENSED POLYCYCLIC COMPOUND, CONDENSED POLYCYCLIC POLYMER AND ORGANIC THIN FILM CONTAINING THE COMPOUND OR THE POLYMER Osaka University (JP) 2010-11-10 EP disclosed