SCHEMBL9871685

SCHEMBL9871685

CCOc1ccc(N(C)C(=S)Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.47
MAPT P10636 3/20 0.47
CNR2 P34972 1/20 0.47
ALOX5 P09917 1/20 0.47
LMNA P02545 5/20 0.45
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL1537235 0.82 ALDH1A1 (0.58) SMN1; SMN2CNR2LMNANPSR1L3MBTL1
SCHEMBL9871052 0.80 ALDH1A1 (0.53) NPC1RAB9AHPGDPOLBMAPT
SCHEMBL9872013 0.77 NQO1 (0.54) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL10345925 0.75 NPC1 (0.54) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL8387473 0.73 ALOX5 (0.74) ALOX5LTB4RLTB4R2
SCHEMBL29456812 0.73 LTA4H (0.52) NPC1RAB9ASMN1; SMN2MAPTCNR2
SCHEMBL9871903 0.73 ALDH1A1 (0.52) SMN1; SMN2POLBMAPTLMNALTA4H
SCHEMBL8137171 0.73 ALOX5 (0.64) ALOX5LMNACYP1A2CYP2C19LTB4R
SCHEMBL9806097 0.72 LTA4H (0.59) NPC1RAB9AHPGDSMN1; SMN2POLB
SCHEMBL9871246 0.72 MAPT (0.51) HPGDSMN1; SMN2POLBMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5019611-A Tetrahydrotriazinethiones THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-05-28 US disclosed
EP-0278890-A2 Non-staining and slightly-staining antiozonants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-08-17 EP disclosed