SCHEMBL26057230

SCHEMBL26057230

c1ccc(-c2ccc(N(c3ccc4c(ccc5c6ccccc6ccc45)c3)c3ccc4c(c3)sc3ccccc34)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HPRT1 P00492 3/20 0.37
▸ GPR3 P46089 1/20 0.37
▸ CYP1B1 Q16678 2/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ F9 P00740 3/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ MCL1 Q07820 1/20 0.32
▸ TNKS O95271 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL26057357 0.96 ALDH1A1 (0.38) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL20623380 0.95 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL20623348 0.95 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26056679 0.95 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26056801 0.94 ALDH1A1 (0.38) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26057435 0.94 ALDH1A1 (0.38) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26057258 0.94 HPRT1 (0.36) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21124328 0.93 ALDH1A1 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL16773540 0.93 ALDH1A1 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26057193 0.93 ALDH1A1 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2

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-4235829-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-08-30 — — EP disclosed
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