SCHEMBL19061792

SCHEMBL19061792

NC1=CC(c2ccccc2)NC(c2ccccc2)=C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CACNA1D Q01668 2/20 0.33
▸ HSD17B10 Q99714 3/20 0.32
▸ P2RX7 Q99572 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ TAAR1 Q96RJ0 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL15450402 0.79 ALDH1A1 (0.45) ALDH1A1HPGDRXFP1CACNA1DHSD17B10
SCHEMBL18732193 0.79 ALDH1A1 (0.38) ALDH1A1HPGDRXFP1CACNA1DHSD17B10
SCHEMBL20618802 0.78 ALDH1A1 (0.46) ALDH1A1HPGDRXFP1CACNA1DHSD17B10
SCHEMBL16864140 0.72 ALDH1A1 (0.40) ALDH1A1HPGDRXFP1CACNA1DKDM4E
SCHEMBL24503992 0.71 ALDH1A1 (0.38) ALDH1A1HPGDRXFP1HSD17B10P2RX7
SCHEMBL18373127 0.70 NPC1 (0.36) ALDH1A1HPGDRXFP1HSD17B10GAA
SCHEMBL18960789 0.70 HPGD (0.38) ALDH1A1HPGDRXFP1CACNA1DGAA
SCHEMBL15034681 0.70 KDM4E (0.36) ALDH1A1HPGDRXFP1KDM4EKMT2A
SCHEMBL23034060 0.67 ALDH1A1 (0.33) ALDH1A1HPGDRXFP1
SCHEMBL17033547 0.67 MEN1 (0.36) ALDH1A1HPGDHSD17B10GAAMAPT

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
EP-3185330-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-06-28 — — EP disclosed
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