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SCHEMBL23511507

SCHEMBL23511507

c1ccc(C2=NC(c3ccc(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)nc(-c6ccccc6)c5-c5ccccc5)cc4)cc3)NC(c3ccccc3)N2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.38
▸ ALDH1A1 P00352 1/20 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
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ADK P55263 1/20 0.31
▸ XDH P47989 1/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL23511410 0.93 P2RX7 (0.32) P2RX7MEN1KMT2ANPC1
SCHEMBL23511644 0.93 P2RX7 (0.35) P2RX7MEN1KMT2ANPC1
SCHEMBL23511327 0.91 P2RX7 (0.33) P2RX7
SCHEMBL19007184 0.88 P2RX7 (0.46) P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL23511429 0.88 P2RX7 (0.33) P2RX7
SCHEMBL23511526 0.86 P2RX7 (0.32) P2RX7
SCHEMBL23511618 0.86 P2RX7 (0.32) P2RX7
SCHEMBL23511323 0.85 P2RX7 (0.32) P2RX7MEN1KMT2ANPC1
SCHEMBL18885397 0.84 P2RX7 (0.50) P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL23511324 0.83 P2RX7 (0.32) P2RX7

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-2021118217-A2 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2021-06-17 — — WO disclosed
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