SCHEMBL19622706

SCHEMBL19622706

c1ccc(-c2ccc(C3N=C(c4ccc5c(ccc6ccccc65)c4)NC(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)N3)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ CYP1B1 Q16678 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL27382290 0.86 P2RX7 (0.33) CYP1B1
SCHEMBL27380717 0.83 HSD17B1 (0.35) ALDH1A1
SCHEMBL22842551 0.82 CA12 (0.35) ALDH1A1HSD17B10
SCHEMBL24747170 0.81 P2RX7 (0.35) ALDH1A1HSD17B10
SCHEMBL18561432 0.80 P2RX7 (0.38) ALDH1A1HSD17B10
SCHEMBL27382288 0.80 MEN1 (0.36) ALDH1A1
SCHEMBL22809249 0.79 — —
SCHEMBL26047357 0.79 PIM3 (0.31) —
SCHEMBL25823385 0.79 CA12 (0.38) ALDH1A1HSD17B10
SCHEMBL27382317 0.79 HSD17B1 (0.35) ALDH1A1CYP1B1HSD17B10

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-3246963-A2 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-11-22 — — EP disclosed
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