SCHEMBL26056513

SCHEMBL26056513

c1ccc2c(c1)ccc1c3cc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5c(c4)sc4ccccc45)ccc3ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HPRT1 P00492 4/20 0.44
▸ GPR3 P46089 1/20 0.44
▸ HSD17B10 Q99714 3/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PAX8 Q06710 1/20 0.34
▸ NQO1 P15559 1/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CA12 O43570 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
SCHEMBL26056514 0.97 ALDH1A1 (0.42) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26045528 0.96 ALDH1A1 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26056515 0.94 HPRT1 (0.44) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26057052 0.94 ALDH1A1 (0.45) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26046324 0.93 ALDH1A1 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26057053 0.93 ALDH1A1 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26056679 0.92 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26851309 0.91 ALDH1A1 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL16773540 0.90 ALDH1A1 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26851238 0.90 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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