SCHEMBL26057053

SCHEMBL26057053

c1ccc2c(c1)ccc1c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5sc6ccccc6c5c4)cc3ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HPRT1 P00492 3/20 0.40
▸ GPR3 P46089 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP1B1 Q16678 2/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ NQO1 P15559 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP1A2 P05177 3/20 0.33
▸ PTGIR P43119 1/20 0.33
▸ CYP1A1 P04798 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
SCHEMBL26057054 0.97 HPRT1 (0.42) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26056514 0.96 ALDH1A1 (0.42) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26057052 0.96 ALDH1A1 (0.45) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19239068 0.94 ALDH1A1 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21966031 0.93 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26057313 0.93 HPRT1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26056513 0.93 ALDH1A1 (0.45) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26056515 0.93 HPRT1 (0.44) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL24657643 0.92 MAPT (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26057312 0.91 ALDH1A1 (0.41) 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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