SCHEMBL7529147

SCHEMBL7529147

NC(N)CSc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.68
MAOB P27338 1/20 0.68
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 1/20 0.52
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
FFAR1 O14842 1/20 0.43
SLC6A4 P31645 2/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MGLL Q99685 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL8909149 0.81 MAOA (1.00) MAOAMAOBALDH1A1MAPK1MTNR1A
SCHEMBL4099623 0.81 MAOA (1.00) MAOAMAOBALDH1A1MAPK1MTNR1A
Hydrochloric Acid SCHEMBL8909768 0.79 MAOA (0.96) MAOAMAOBALDH1A1MAPK1MTNR1A
SCHEMBL3441777 0.79 MAOA (0.61) MAOAMAOBALDH1A1MAPK1MTNR1A
SCHEMBL9299256 0.79 MAOA (0.61) MAOAMAOBALDH1A1MAPK1MTNR1A
SCHEMBL24688181 0.78 MAOA (0.64) MAOAMAOBALDH1A1MAPK1MTNR1A
SCHEMBL3614466 0.78 MAOA (0.59) MAOAMAOBALDH1A1MAPK1MTNR1A
SCHEMBL28498239 0.78 MAOA (0.59) MAOAMAOBALDH1A1MAPK1MTNR1A
SCHEMBL5745454 0.78 MAOA (0.70) MAOAMAOBALDH1A1MAPK1MTNR1A
SCHEMBL3614462 0.78 MAOA (0.59) MAOAMAOBALDH1A1MAPK1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861276-B1 TRIMODAL MOLECULAR WEIGHT POLYETHER POLYOL PREPOLYMERS UNIROYAL CHEM CO INC (US) 2002-03-20 EP disclosed
EP-0861276-A1 TRIMODAL MOLECULAR WEIGHT POLYETHER POLYOL PREPOLYMERS UNIROYAL CHEMICAL COMPANY, Inc. (US) 1998-09-02 EP disclosed
US-5654390-A REACTING TOLUENE DIISOCYANATE(S) WITH BLEND OF POLYETHERS HAVING HIGH, LOW AND INTERMEDIATE MOLECULAR WEIGHTS, THEN REMOVING EXCESS ISOCYANATE YIELDS DURABLE, FLEXIBLE ELASTOMERIC POLYETHERURETHANE COPOLYMER UNIROYAL CHEMICAL COMPANY, INC. (US) 1997-08-05 US disclosed
WO-1997019123-A1 TRIMODAL MOLECULAR WEIGHT POLYETHER POLYOL PREPOLYMERS UNIROYAL CHEMICAL COMPANY, INC. (US) 1997-05-29 WO disclosed
EP-0334522-B1 Non-pneumatic tyre UNIROYAL CHEM CO INC (US) 1994-11-02 EP disclosed
US-5023040-A Polytetramethylene glycol blend of different molecular weights reacted with toluene diisocyanate to form end capped prepolymer, reacting with aromatic cliamine curative; angular radial ribs interconnected by webbing UNIROYAL CHEMICAL COMPANY, INC. (US) 1991-06-11 US disclosed
US-4934425-A DURABILITY, IMPROVED VEHICLE RIDE UNIROYAL CHEMICAL COMPANY, INC. (US) 1990-06-19 US disclosed