SCHEMBL18820842

SCHEMBL18820842

ClC1N=C(c2ccccc2)NC(c2ccc(-c3ccccc3)cc2)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.42
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NISCH Q9Y2I1 2/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ KDM1A O60341 3/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL15749798 0.93 P2RX7 (0.49) P2RX7MEN1KMT2AALDH1A1CYP1A2
SCHEMBL18562408 0.82 P2RX7 (0.39) P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL19007184 0.81 P2RX7 (0.46) P2RX7MEN1KMT2AALDH1A1CYP1A2
SCHEMBL20226320 0.77 P2RX7 (0.46) P2RX7MEN1KMT2AALDH1A1CYP1A2
SCHEMBL20226288 0.77 P2RX7 (0.46) P2RX7MEN1KMT2AALDH1A1CYP1A2
SCHEMBL18561038 0.77 P2RX7 (0.40) P2RX7MEN1KMT2AALDH1A1CYP1A2
SCHEMBL19534018 0.76 ALDH1A1 (0.43) P2RX7MEN1KMT2AALDH1A1MAPT
SCHEMBL18561422 0.75 KDM4E (0.35) P2RX7
SCHEMBL17876668 0.75 ALDH1A1 (0.42) P2RX7MEN1KMT2AALDH1A1CYP1A2
SCHEMBL19013205 0.75 P2RX7 (0.44) P2RX7MEN1KMT2AALDH1A1CYP1A2

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-2017074052-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2017-05-04 — — WO disclosed
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