SCHEMBL8085544

SCHEMBL8085544

CCC(c1cccc(N)c1C)c1cccc(N)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.52
TSHR P16473 3/20 0.52
PIK3CA P42336 1/20 0.52
ALDH1A1 P00352 4/20 0.43
CD44 P16070 1/20 0.37
GPR84 Q9NQS5 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
ESR1 P03372 1/20 0.33
KCNH2 Q12809 1/20 0.33
BCHE P06276 1/20 0.33
TYR P14679 1/20 0.33
ACHE P22303 1/20 0.33
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
S1PR1 P21453 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL6542924 0.81 CD44 (0.43) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL6310149 0.81 CYP3A4 (0.37) CYP3A4TSHRPIK3CAALDH1A1GPR84
SCHEMBL1602038 0.80 ALDH1A1 (0.45) CYP3A4TSHRPIK3CAALDH1A1GPR84
SCHEMBL2198759 0.79 MMP2 (0.44) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL5610783 0.78 ADRA2A (0.41) CYP3A4TSHRALDH1A1GPR84ESR1
SCHEMBL6004009 0.78 ALDH1A1 (0.43) CYP3A4TSHRPIK3CAALDH1A1GPR84
SCHEMBL6317155 0.78 CYP3A4 (0.38) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL28179489 0.76 GABBR2 (0.40) CYP3A4TSHRPIK3CAALDH1A1ESR1
SCHEMBL28179490 0.76 GABBR2 (0.40) CYP3A4TSHRPIK3CAALDH1A1ESR1
SCHEMBL6406528 0.76 CYP3A4 (0.59) CYP3A4TSHRPIK3CAALDH1A1CD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090525-A PHOTOSENSITIVE POLYIMIDE COATING AGENT COMPOSITION WITH BOTH GOOD VISCOSITY STABILITY AT ROOM TEMPERATURE WITH LAPSE OF TIME AND GOOD PHOTOSENSITIVE PERFORMANCE TORAY INDUSTRIES, INC. (JP) 2000-07-18 US disclosed
EP-0878740-A1 Radiation sensitive polymer composition TORAY INDUSTRIES, INC. (JP) 1998-11-18 EP disclosed