SCHEMBL20098740

SCHEMBL20098740

C=CC(=C)c1ccc2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX12 P18054 2/20 0.40
EGFR P00533 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
JAK1 P23458 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGES O14684 2/20 0.36
ALOX5 P09917 2/20 0.36
ESR1 P03372 3/20 0.36

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
SCHEMBL17640447 0.86 MAPT (0.39) MAPTALDH1A1HPGDKDM4ECYP3A4
SCHEMBL22995714 0.86 MAPT (0.39) MAPTALDH1A1HPGDKDM4ECYP3A4
SCHEMBL14263610 0.81 ALDH1A1 (0.46) MAPTALDH1A1KDM4ECYP3A4TDP1
SCHEMBL14263620 0.81 ALDH1A1 (0.46) MAPTALDH1A1KDM4ECYP3A4TDP1
SCHEMBL14263619 0.81 ALDH1A1 (0.46) MAPTALDH1A1KDM4ECYP3A4TDP1
SCHEMBL24153960 0.81 ALDH1A1 (0.46) MAPTALDH1A1KDM4ECYP3A4TDP1
SCHEMBL14263621 0.81 ALDH1A1 (0.46) MAPTALDH1A1KDM4ECYP3A4TDP1
SCHEMBL14263622 0.81 ALDH1A1 (0.46) MAPTALDH1A1KDM4ECYP3A4TDP1
SCHEMBL13854499 0.79 ALDH1A1 (0.48) MAPTALDH1A1KDM4ECYP3A4TDP1
SCHEMBL14263611 0.79 ALDH1A1 (0.48) MAPTALDH1A1KDM4ECYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957441-B2 Amine-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-01 US disclosed