SCHEMBL7841589

SCHEMBL7841589

NC(=S)COc1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
ATF4 P18848 3/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAOB P27338 1/20 0.44
PTGS2 P35354 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.43
GAA P10253 1/20 0.43

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
Thiourea SCHEMBL28331572 0.81 ALOX15 (0.55) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL5707393 0.81 ADAMTS5 (0.48) RAB9AALDH1A1ATF4POLBMAPT
SCHEMBL5039308 0.79 MAOB (0.51) KDM4EALDH1A1PKMAPOBEC3GMAPT
SCHEMBL7846467 0.79 WDR5 (0.44) ALDH1A1POLBMAPTMAOBGAA
SCHEMBL1816835 0.79 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPC1ALDH1A1ATF4
SCHEMBL4100035 0.79 WDR5 (0.66) SMN1; SMN2RAB9ANPC1ATF4CYP1A2
SCHEMBL159433 0.78 ALOX15 (0.56) ALDH1A1MAOBGAA
Hydrochloric Acid SCHEMBL5480598 0.78 WDR5 (0.63) SMN1; SMN2RAB9ANPC1ATF4CYP1A2
SCHEMBL7842545 0.77 WDR5 (0.70) SMN1; SMN2KDM4EALDH1A1HTTPOLB
SCHEMBL3740206 0.77 NPC1 (0.63) RAB9ANPC1KDM4EALDH1A1ATF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117886810-A Indoline compound and preparation method and application thereof 徐州医科大学 2024-04-16 CN disclosed
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed
US-4001447-A HAVING HYPOLIPEMIANT, VASODILATATORY AND HYPOCHOLESTEROLEMIANT ACTIVITIES ROUSSEL-UCLAF (FR) 1977-01-04 US disclosed