SCHEMBL1435249

SCHEMBL1435249

CC(C)(C)c1csc(C(=O)C=Cc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
KMT2A Q03164 5/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ATM Q13315 1/20 0.47
TNFRSF1A P19438 3/20 0.47
CYP1B1 Q16678 4/20 0.47
MEN1 O00255 4/20 0.46
NPC1 O15118 2/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
TP53 P04637 1/20 0.46
PLIN1 O60240 2/20 0.45
RECQL P46063 2/20 0.45
PLIN5 Q00G26 2/20 0.45
ABHD5 Q8WTS1 2/20 0.45
MAOB P27338 2/20 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
SCHEMBL1435318 0.77 CYP1B1 (0.54) MAPTKMT2ALMNAALDH1A1RAB9A
SCHEMBL1397634 0.73 NPC1 (0.46) MAPTKMT2ALMNAALDH1A1RAB9A
SCHEMBL1435403 0.72 CYP1B1 (0.54) MAPTKMT2ALMNAALDH1A1RAB9A
SCHEMBL1435433 0.72 TP53 (0.53) MAPTKMT2ALMNAALDH1A1RAB9A
SCHEMBL1435687 0.72 MAPT (0.60) MAPTKMT2ALMNAALDH1A1RAB9A
SCHEMBL1435404 0.72 MAPT (0.56) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL1435414 0.72 MAOB (0.56) MAPTKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL18407351 0.71 RAB9A (0.64) MAPTKMT2ALMNAALDH1A1RAB9A
SCHEMBL1435357 0.71 HTR2C (0.52) MAPTKMT2ALMNARAB9ATNFRSF1A
SCHEMBL15525567 0.69 KMT2A (0.58) MAPTKMT2ALMNAALDH1A1RAB9A

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
EP-1898908-B1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT TROPHOS (FR) 2011-03-30 EP claimed
EP-1898908-B1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT TROPHOS (FR) 2011-03-30 EP disclosed