SCHEMBL18965420

SCHEMBL18965420

C1=C(c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)c4ccccc34)cc2)NC(c2ccccc2)NC1c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ MAPT P10636 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
SCHEMBL18965418 0.92 KDM4E (0.35) ATMALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL18965422 0.92 MEN1 (0.33) MEN1KMT2AALDH1A1CYP1A2HSD17B10
SCHEMBL18965405 0.90 ALDH1A1 (0.33) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL18965434 0.80 — —
SCHEMBL18819541 0.76 P2RX7 (0.30) MAPT
SCHEMBL18819543 0.76 P2RX7 (0.30) MAPT
SCHEMBL18965449 0.75 RAB9A (0.35) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL18818853 0.75 — —
SCHEMBL23511382 0.75 ALDH1A1 (0.32) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL17905832 0.74 PRKCZ (0.41) MEN1KMT2AALDH1A1HPGDCYP1A2

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
WO-2017099430-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2017-06-15 — — WO disclosed
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