SCHEMBL8849587

SCHEMBL8849587

CN(C)c1ccc(N(c2ccc(C#N)cc2)c2ccc(C#N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
TSHR P16473 4/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 2/20 0.47
CYP2A6 P11509 2/20 0.46
APP P05067 2/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ENPP2 Q13822 1/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL60385 0.93 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL995812 0.88 CA2 (0.50) ALDH1A1TSHRCYP2A6KDM4EENPP2
SCHEMBL7262864 0.86 APP (0.53) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL10630522 0.83 ALDH1A1 (0.46) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL8849540 0.82 ALDH1A1 (0.73) ALDH1A1TSHRCYP2A6KDM4EKMT2A
SCHEMBL27807876 0.82 TSHR (0.56) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL25543233 0.81 MMP3 (0.56) ALDH1A1TSHRHSD17B10CYP2A6ENPP2
SCHEMBL25544161 0.81 MMP3 (0.56) ALDH1A1TSHRHSD17B10CYP2A6ENPP2
SCHEMBL22995534 0.81 KDM1A (0.53) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL1092248 0.81 KDM4E (0.63) ALDH1A1ALOX15MAPTCYP2A6APP

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-5633337-A Aromatic benzobisazole polymers and copolymers incorporating diphenylamino moieties THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1997-05-27 US disclosed
US-5536866-A Triarylamine-based dinitrile and dicarboxylic acid monomers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1996-07-16 US disclosed
US-5534613-A ELECTROCONDUCTORS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1996-07-09 US disclosed
US-5521277-A ELECTROCONDUCTIVE POLYMERS WITH POLYTHIAZOLES OR POLYOXAZOLE GROUPS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1996-05-28 US disclosed