SCHEMBL9335409

SCHEMBL9335409

Clc1ccc(Cl)c(-c2cccs2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
MAPT P10636 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41

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
SCHEMBL9335164 0.84 LMNA (0.50) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL28085233 0.81 POLB (0.41) CNR2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL5000624 0.81 LMNA (0.44) CNR2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL27941958 0.79 AR (0.43) CNR2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL28452847 0.79 MAPT (0.47) CNR2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL27874980 0.79 POLB (0.40) CNR2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL11111178 0.79 AHR (0.46) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL16113228 0.77 RAB9A (0.41) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1310734 0.77 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL29498757 0.77 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0427404-B1 Anthanthrone derivatives ZENECA LTD (GB) 1994-05-25 EP disclosed
EP-0427404-A2 Anthanthrone derivatives ZENECA LIMITED (GB) 1991-05-15 EP disclosed
US-4128586-A Catalytic reduction of aromatic sulfonyl halides with hydrogen sulfide to yield aromatic thiols ALLIED CHEMICAL CORPORATION (US) 1978-12-05 US disclosed
US-4072584-A PIGMENTS, RUBBER ALLIED CHEMICAL CORPORATION (US) 1978-02-07 US disclosed