SCHEMBL11313166

SCHEMBL11313166

N#CC(C#N)=Cc1ccc2cc(C=C(C#N)C#N)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.70
MAPT P10636 11/20 0.70
KMT2A Q03164 11/20 0.70
MEN1 O00255 10/20 0.70
KDM4E B2RXH2 6/20 0.70
LMNA P02545 6/20 0.70
NPSR1 Q6W5P4 4/20 0.70
POLB P06746 2/20 0.70
EGFR P00533 8/20 0.64
CYP3A4 P08684 6/20 0.64
HPGD P15428 6/20 0.64
BLM P54132 6/20 0.64
NFKB1 P19838 5/20 0.64
PMP22 Q01453 5/20 0.64
CYP1A2 P05177 5/20 0.64
CYP2C9 P11712 5/20 0.64
HSD17B10 Q99714 5/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
TSHR P16473 4/20 0.64
ALOX15 P16050 4/20 0.64

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
SCHEMBL29981112 0.92 ALDH1A1 (0.59) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL11442633 0.92 ALDH1A1 (0.59) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL7157991 0.89 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL7158461 0.86 MAPT (0.72) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL7158699 0.83 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL17466932 0.83 MAPT (1.00) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL7170070 0.82 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL3795526 0.79 KMT2A (0.53) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL3794985 0.79 KMT2A (0.53) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL5865768 0.79 ALDH1A1 (0.65) ALDH1A1MAPTKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4282354-A PHOTOCONDUCTORS EASTMAN KODAK COMPANY (US) 1981-08-04 US disclosed
US-4255506-A A PHOTOSENSITIVE ORGANIC PIGMENT CONTAINING ONE OR MORE VINYL GROUPS AND RING(S) OF BENZENE, NAPHTHALENE, ANTHRACENE, AND/OR DIBENZOTHIENE; COPIERS EASTMAN KODAK COMPANY (US) 1981-03-10 US disclosed
US-4165984-A UNSATURATED COMPOUND EASTMAN KODAK COMPANY (US) 1979-08-28 US disclosed