SCHEMBL10978005

SCHEMBL10978005

C[C]SCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
PRMT1 Q99873 1/20 0.42
TP53 P04637 1/20 0.42
IDO1 P14902 4/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
MAOB P27338 2/20 0.40
POLB P06746 2/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 1/20 0.40
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CALM1 P0DP23 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL2074627 0.79 IDO1 (0.44) CYP1A2CYP3A4CYP2D6PRMT1TP53
SCHEMBL44259 0.79 IDO1 (0.44) CYP1A2CYP3A4CYP2D6PRMT1TP53
Benzyl Thiocyanate SCHEMBL129196 0.75 MAOB (0.48) CYP1A2IDO1NOS3NOS1NOS2
SCHEMBL28515 0.75 CTSL (0.43) CYP1A2CYP3A4CYP2D6PRMT1IDO1
SCHEMBL19514760 0.75 CA12 (0.43) CYP1A2CYP3A4CYP2D6PRMT1IDO1
SCHEMBL11384559 0.75 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6PRMT1IDO1
SCHEMBL9217746 0.75 MAOB (0.44) CYP1A2CYP3A4CYP2D6PRMT1IDO1
Benzyl Thiocyanate SCHEMBL27730692 0.75 MAOB (0.48) CYP1A2IDO1NOS3NOS1NOS2
SCHEMBL1679996 0.75 IDO1 (0.41) CYP1A2CYP3A4CYP2D6PRMT1IDO1
SCHEMBL11375999 0.75 MAOB (0.41) CYP1A2CYP3A4CYP2D6PRMT1TP53

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-4536391-A REACTING A PLASMIN HEAVY CHAIN WITH UROKINASE IN THE PRESENCE OF A COUPLING AGENT OTSUKA PHARMACEUTICAL CO. (JP) 1985-08-20 US disclosed
EP-0109653-A2 Process for preparing urokinase complex OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-05-30 EP disclosed