SCHEMBL7529152

SCHEMBL7529152

CC(N)(N)Sc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
SLC6A2 P23975 1/20 0.41
KCNN4 O15554 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
PRMT1 Q99873 1/20 0.34
KMT2A Q03164 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL21011381 0.84 MAPT (0.41) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL1107766 0.78 MAPT (0.45) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL575613 0.78 HSD17B10 (0.45) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL16690575 0.77 TAAR1 (0.40) MAPTHPGDSMN1; SMN2MGLLHSD17B10
Fluoride SCHEMBL777953 0.76 HSD17B10 (0.43) MAPTHPGDSMN1; SMN2MGLLHSD17B10
Fluoride SCHEMBL1335636 0.76 HSD17B10 (0.43) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL6271850 0.75 ALDH1A1 (0.48) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL1111636 0.74 HPGD (0.41) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL19622359 0.74 MAPT (0.41) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL2945120 0.73 CYP1A2 (0.53) MAPTHPGDSMN1; SMN2MGLLHSD17B10

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