SCHEMBL17685698

SCHEMBL17685698

NC(=S)S.[NaH].c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.50
MAOB P27338 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TAAR1 Q96RJ0 2/20 0.48
CYP2A6 P11509 1/20 0.48
HTR2A P28223 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
NOS1 P29475 1/20 0.47
HTR3A P46098 1/20 0.47
FFAR1 O14842 1/20 0.45
CTSL P07711 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL702198 0.98 MAOA (0.52) MAOAMAOBSMN1; SMN2NPC1RAB9A
Ammonia Solution, Strong SCHEMBL23878420 0.95 MAOA (0.50) MAOAMAOBSMN1; SMN2NPC1RAB9A
SCHEMBL7584903 0.95 MAOA (0.50) MAOAMAOBSMN1; SMN2NPC1RAB9A
SCHEMBL2017045 0.95 MAOA (0.50) MAOAMAOBSMN1; SMN2NPC1RAB9A
SCHEMBL7889408 0.95 MAOA (0.50) MAOAMAOBSMN1; SMN2NPC1RAB9A
SCHEMBL422836 0.95 MAOA (0.50) MAOAMAOBSMN1; SMN2NPC1RAB9A
SCHEMBL10597986 0.85 MAOA (0.54) MAOAMAOBSMN1; SMN2NPC1RAB9A
SCHEMBL8731548 0.83 FFAR1 (0.58) MAOAMAOBSMN1; SMN2TAAR1CYP2A6
SCHEMBL700765 0.83 CA12 (0.61) MAOAMAOBSMN1; SMN2NPC1RAB9A
Potassium Ion SCHEMBL23878393 0.81 CA12 (0.59) MAOAMAOBSMN1; SMN2NPC1RAB9A

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
US-11079649-B2 Metal sensitized color changing material UNIVERSITY OF SOUTH FLORIDA (US) 2021-08-03 US disclosed
US-20160109776-A1 Metal Sensitized Color Changing Material UNIVERSITY OF SOUTH FLORIDA (US) 2016-04-21 US disclosed
CN-103922982-A Preparation method of dithiocarbamic acid sulfurized cross-linking agent JIANGSU QIXIANG HIGH NEW MATERIAL CO LTD 2014-07-16 CN disclosed