SCHEMBL27381789

SCHEMBL27381789

c1ccc(-c2ccc3c(C4=NC(c5ccc6ccccc6c5)NC(c5ccccc5)N4)cccc3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 3/20 0.33
▸ HSD17B2 P37059 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CTSD P07339 1/20 0.31
▸ ACHE P22303 2/20 0.31
▸ CYP17A1 P05093 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ ESR1 P03372 3/20 0.31
▸ ESR2 Q92731 3/20 0.31
▸ PIM1 P11309 1/20 0.30
▸ GPR84 Q9NQS5 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ ERBB2 P04626 1/20 0.30
▸ CYP1A2 P05177 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
SCHEMBL27381794 0.93 ALDH1A1 (0.32) HSD17B1HSD17B2ALDH1A1MAPTMEN1
SCHEMBL27382260 0.92 ALDH1A1 (0.36) HSD17B1HSD17B2ALDH1A1MAPTACHE
SCHEMBL27382317 0.88 HSD17B1 (0.35) HSD17B1HSD17B2ALDH1A1MEN1NPC1
SCHEMBL27381887 0.88 P2RX7 (0.38) HSD17B1HSD17B2ALDH1A1MEN1NPC1
SCHEMBL27382290 0.87 P2RX7 (0.33) HSD17B1HSD17B2MEN1NPC1KMT2A
SCHEMBL18965426 0.86 — —
SCHEMBL24356429 0.85 ALDH1A1 (0.31) ALDH1A1MAPTMEN1NPC1KMT2A
SCHEMBL27380717 0.84 HSD17B1 (0.35) HSD17B1HSD17B2ALDH1A1MAPTMEN1
SCHEMBL24890189 0.83 HCRTR1 (0.31) —
SCHEMBL25823385 0.83 CA12 (0.38) HSD17B1HSD17B2ALDH1A1MAPTPIM1

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-2024080655-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE HAVING SAME 덕산네오룩스 주식회사 2024-04-18 — — WO disclosed
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