SCHEMBL9628831

SCHEMBL9628831

S=c1sc2ccccc2n1CNc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
CYP1A2 P05177 2/20 0.63
HPGD P15428 1/20 0.63
HSD17B10 Q99714 1/20 0.63
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 3/20 0.41
PKM P14618 1/20 0.41
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL9629852 0.95 ALDH1A1 (0.60) ALDH1A1CYP1A2HPGDHSD17B10L3MBTL1
SCHEMBL10863546 0.80 ALDH1A1 (0.55) ALDH1A1CYP1A2HPGDHSD17B10L3MBTL1
SCHEMBL9278711 0.78 ALDH1A1 (1.00) ALDH1A1CYP1A2HPGDHSD17B10L3MBTL1
SCHEMBL10732915 0.75 L3MBTL1 (0.57) ALDH1A1CYP1A2L3MBTL1KDM4EPKM
SCHEMBL11780045 0.75 L3MBTL1 (0.65) ALDH1A1CYP1A2HPGDHSD17B10L3MBTL1
SCHEMBL9628582 0.74 ALDH1A1 (0.49) ALDH1A1CYP1A2HPGDHSD17B10L3MBTL1
SCHEMBL3393854 0.74 ALDH1A1 (0.48) ALDH1A1CYP1A2HPGDHSD17B10L3MBTL1
SCHEMBL8079249 0.74 ALDH1A1 (0.51) ALDH1A1CYP1A2HPGDHSD17B10L3MBTL1
SCHEMBL513869 0.74 ALDH1A1 (0.48) ALDH1A1CYP1A2HPGDHSD17B10L3MBTL1
SCHEMBL5580041 0.72 ALDH1A1 (0.57) ALDH1A1CYP1A2HPGDHSD17B10L3MBTL1

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
US-10384191-B2 Star-shape nanoparticle and a method of using thereof to detect arsenic in a solution KING ABDULAZIZ UNIVERSITY (SA) 2019-08-20 US disclosed
EP-0203033-B1 AMINO ETHYL DERIVATIVE OF BENZOTHIAZOLINTHION AS A LUBRICANT ADDITIVE CIBA-GEIGY AG (CH) 1992-03-11 EP disclosed
US-4810399-A FRICTION, WEAR, CORROSION AND OXIDATION RESISTANCE CIBA-GEIGY CORPORATION (US) 1989-03-07 US disclosed
US-4803001-A RESISTANT TO FRICTION, WEAR, CORROSION AND OXIDATION CIBA-GEIGY CORPORATION (US) 1989-02-07 US disclosed
US-4737302-A Aminomethyl derivatives of benzothiazolinethione as lubricant additives CIBA-GEIGY CORPORATION (US) 1988-04-12 US disclosed
EP-0203033-A2 Amino ethyl derivative of benzothiazolinthion as a lubricant additive CIBA-GEIGY AG (CH) 1986-11-26 EP disclosed