SCHEMBL8655007

SCHEMBL8655007

Nc1cccc(C(c2cccc(N)c2N)(C(F)(F)F)C(F)(F)F)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.39
CYP3A4 P08684 4/20 0.35
TSHR P16473 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
PDK2 Q15119 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
PIK3CA P42336 1/20 0.33
MAPT P10636 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL2596285 0.86 ALDH1A1 (0.37) CD44CYP3A4TSHRALDH1A1HPGD
SCHEMBL3625418 0.82 CD44 (0.39) CD44CYP3A4TSHRALDH1A1HPGD
SCHEMBL30469485 0.82 CD44 (0.39) CD44CYP3A4TSHRALDH1A1HPGD
SCHEMBL2800809 0.81 SMN1; SMN2 (0.43) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL476347 0.81 CD44 (0.42) CD44CYP3A4TSHRALDH1A1HPGD
SCHEMBL29380196 0.81 SMN1; SMN2 (0.43) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL29589903 0.81 CD44 (0.42) CD44CYP3A4TSHRALDH1A1HPGD
SCHEMBL9617287 0.80 CD44 (0.38) CD44CYP3A4TSHRALDH1A1HPGD
SCHEMBL2585650 0.78 G6PD (0.39) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL12724449 0.78 MEN1 (0.53) CD44CYP3A4TSHRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834575-A POLYIMIDE OR POLYACRYLATE WITH PENDANT GROUP CONTAINING THIOPHENE RING, BENZENE RING AND VICINAL NITRILE GROUPS, SWITCHES FOR OPTICAL SIGNALS, COMMUNICATION TECHNOLOGY HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-11-10 US disclosed
EP-0628590-B1 Polyimide having organopolysiloxane side chain DOW CORNING (US) 1998-06-03 EP disclosed
US-5473041-A Increased solubility and low melting points; separation films; diaminobiphenyl-modified polysiloxanes DOW CORNING CORPORATION (US) 1995-12-05 US disclosed
EP-0628590-A2 Polyimide having organopolysiloxane side chain DOW CORNING CORPORATION (US) 1994-12-14 EP disclosed