SCHEMBL5081872

SCHEMBL5081872

S=C(NCCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
NPSR1 Q6W5P4 2/20 0.63
GAA P10253 2/20 0.63
HTT P42858 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
LMNA P02545 2/20 0.54
TAAR1 Q96RJ0 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
IDO1 P14902 1/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL15398607 0.84 NPC1 (0.59) ALDH1A1NPSR1GAAHTTNPC1
SCHEMBL3190624 0.81 ALDH1A1 (0.69) ALDH1A1NPSR1GAAHTTSMN1; SMN2
SCHEMBL4888099 0.81 ALDH1A1 (0.63) ALDH1A1NPSR1HTT
SCHEMBL11527812 0.80 GAA (0.65) ALDH1A1NPSR1GAASMN1; SMN2KMT2A
SCHEMBL6959049 0.80 NPC1 (0.63) ALDH1A1GAAHTTNPC1RAB9A
SCHEMBL29221804 0.79 ALDH1A1 (0.59) ALDH1A1NPSR1HTTNPC1RAB9A
SCHEMBL12049716 0.78 TRPV1 (0.55)
SCHEMBL11530107 0.77 GAA (1.00) ALDH1A1NPSR1GAAHTTSMN1; SMN2
SCHEMBL6524477 0.77 RAB9A (1.00) ALDH1A1GAAHTTNPC1RAB9A
SCHEMBL159163 0.77 NPC1 (0.76) ALDH1A1GAAHTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5236633-A Blend of transparent polymer, thiourea and copper compounds JUJO PAPER CO., LTD. (JP) 1993-08-17 US claimed
US-4264710-A AN ETHYLENICALLY UNSATURATED COMPOUND, AND A PHOTOPOLYMERIZATION INIATOR FUJI PHOTO FILM CO., LTD. (JP) 1981-04-28 US claimed
US-20080227895-A1 Fire retardant vinyl chloride-based resin composition and molded article thereof MITSUBISHI PLASTICS, INC. (JP) 2008-09-18 US disclosed
US-20060014874-A1 Flame-resistant vinyl chlorride based resin composition and formed product therefrom MITSUBISHI PLASTICS, INC. (JP) 2006-01-19 US disclosed
CN-1054803-C Polycarbonic acid ester resin layered products absorbing near-infrared and formed products made of same DAICEL CHEM (JP) 2000-07-26 CN disclosed
US-5514740-A SHEET OR FILM HAVING CUPRIC SULFIDE DISPERSED THEREIN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-07 US disclosed
US-5393443-A Hard-coating, heat-absorbing composition and heat-shielding substance JUJO PAPER CO., LTD. (JP) 1995-02-28 US disclosed
CN-1094354-A Polycarbonate-based resin laminate of absorption near infrared ray and formed body thereof DAICEL CHEM (JP) 1994-11-02 CN disclosed