SCHEMBL8877598

SCHEMBL8877598

O=C(Cl)c1sc2ccc(Cl)cc2c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.56
RXFP1 Q9HBX9 2/20 0.56
BCKDK O14874 2/20 0.56
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
BCL2L1 Q07817 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 3/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 2/20 0.42
PRNP P04156 1/20 0.42
TSHR P16473 1/20 0.42
PPARG P37231 1/20 0.42
HTT P42858 1/20 0.42
MAPK10 P53779 1/20 0.42
NCOA2 Q15596 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL121489 0.86 MAPT (0.50) MCL1RXFP1BCKDKKDM4EMAPT
SCHEMBL2723054 0.86 BCKDK (0.75) MCL1RXFP1BCKDKNPC1RAB9A
SCHEMBL1255148 0.83 BCKDK (0.58) MCL1RXFP1BCKDKNPC1RAB9A
SCHEMBL1254412 0.83 MCL1 (0.51) MCL1RXFP1BCKDKNPC1RAB9A
SCHEMBL11798884 0.82 ABCB11 (0.47) MCL1RXFP1BCKDKKDM4EMAPT
SCHEMBL1447569 0.81 PRNP (0.60) RXFP1NPC1RAB9AKDM4EMAPT
SCHEMBL12553241 0.80 MCL1 (0.41) MCL1RXFP1BCKDKNPC1RAB9A
SCHEMBL3067147 0.80 MCL1 (0.41) MCL1RXFP1BCKDKNPC1RAB9A
SCHEMBL12581557 0.80 MCL1 (0.41) MCL1RXFP1BCKDKNPC1RAB9A
SCHEMBL144003 0.79 MCL1 (0.42) MCL1RXFP1BCKDKNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731800-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF 3-CHLOROBENZO [b]THIOPHENE-2-CARBONYL CHLORIDES WARNER-LAMBERT COMPANY (US) 1996-09-18 EP claimed
US-5426191-A Treating substituted cinnamic acids with 4-N,N*-disubstituted aminopyridines, then with thionyl chloride WARNER-LAMBERT COMPANY (US) 1995-06-20 US claimed
WO-1995015323-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF 3-CHLOROBENZO[b]THIOPHENE-2-CARBONYL CHLORIDES WARNER-LAMBERT COMPANY (US) 1995-06-08 WO claimed
US-5608074-A Process for the synthesis of 5-amino tetrazole derivatives WARNER-LAMBERT COMPANY (US) 1997-03-04 US disclosed
EP-0731800-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF 3-CHLOROBENZO [b]THIOPHENE-2-CARBONYL CHLORIDES WARNER-LAMBERT COMPANY (US) 1996-09-18 EP disclosed
US-5426191-A Treating substituted cinnamic acids with 4-N,N*-disubstituted aminopyridines, then with thionyl chloride WARNER-LAMBERT COMPANY (US) 1995-06-20 US disclosed
WO-1995015323-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF 3-CHLOROBENZO[b]THIOPHENE-2-CARBONYL CHLORIDES WARNER-LAMBERT COMPANY (US) 1995-06-08 WO disclosed