SCHEMBL17849734

SCHEMBL17849734

COC(=O)c1ccccc1Nc1ccc2c(c1)c1ccc3ccccc3c1n2-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ CDC25B P30305 4/20 0.40
▸ CDC25A P30304 1/20 0.40
▸ CDC25C P30307 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40

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
SCHEMBL15855471 0.87 MAPT (0.50) MAPTALOX15KDM4EHPGDCYP1A2
SCHEMBL17849732 0.80 MAPK14 (0.34) ALOX15HPGDCYP3A4HSD17B10CDC25B
SCHEMBL17740701 0.80 ALDH1A1 (0.45) MAPTALOX15KDM4EHPGDCYP3A4
SCHEMBL783331 0.79 MAPT (0.57) MAPTALOX15KDM4EHPGDALDH1A1
SCHEMBL17849728 0.78 MAPT (0.49) MAPTALOX15KDM4EHPGDCYP1A2
SCHEMBL12333415 0.78 MAPT (0.55) MAPTALOX15KDM4EHPGDCYP1A2
SCHEMBL15855467 0.78 HPGD (0.36) ALOX15HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL20204499 0.77 ALDH1A1 (0.39) MAPTALOX15KDM4EHPGDCYP3A4
SCHEMBL2787546 0.77 MAPT (0.56) MAPTALOX15KDM4EHPGDHSD17B10
SCHEMBL22433826 0.74 MAPT (0.56) MAPTALOX15KDM4EHPGDHSD17B10

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-9728728-B2 Compound and organic light-emitting device using same LG CHEM, LTD. (KR) 2017-08-08 — — US disclosed
US-9373793-B2 Compound and organic light-emitting device using same LG CHEM, LTD. (KR) 2016-06-21 — — US disclosed
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