SCHEMBL19786064

SCHEMBL19786064

Fc1ccc(CSS/C=C/CSc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
LMNA P02545 5/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
PKM P14618 1/20 0.37
TERT O14746 1/20 0.34
HTT P42858 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
EPHX1 P07099 1/20 0.34
CTSB P07858 1/20 0.34
MAPK1 P28482 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL19785863 1.00 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAOBMAOALMNA
SCHEMBL21189960 0.89 HSD17B10 (0.38) ALDH1A1MAOBMAOANPC1RAB9A
SCHEMBL21189949 0.89 HSD17B10 (0.38) ALDH1A1MAOBMAOANPC1RAB9A
SCHEMBL19786067 0.85 HPGD (0.40) ALDH1A1SMN1; SMN2MAPTHTTNPC1
SCHEMBL21189914 0.85 MEN1 (0.41) ALDH1A1SMN1; SMN2MAOBMAOALMNA
SCHEMBL19785633 0.85 IDO1 (0.36) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL21189951 0.85 MEN1 (0.41) ALDH1A1SMN1; SMN2MAOBMAOALMNA
SCHEMBL21190121 0.84 LMNA (0.36) ALDH1A1MAOBLMNAMAPTPKM
SCHEMBL21190098 0.84 LMNA (0.36) ALDH1A1MAOBLMNAMAPTPKM
SCHEMBL21190022 0.82 APP (0.46) ALDH1A1SMN1; SMN2MAOBMAOAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019143142-A1 NOVEL PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING GLIOBLASTOMA 숙명여자대학교 산학협력단 2019-07-25 WO disclosed
WO-2019143143-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROBLASTOMA OR RHEUMATOID ARTHRITIS 숙명여자대학교 산학협력단 2019-07-25 WO disclosed
WO-2018012947-A1 NOVEL ORGANIC SULFUR COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER OR AN INFLAMMATORY DISEASE, CONTAINING SAME AS ACTIVE INGREDIENT 숙명여자대학교 산학협력단 2018-01-18 WO disclosed