SCHEMBL31442257

SCHEMBL31442257

Nc1cc(N)c2oc3ccccc3c2c1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 9/20 0.49
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NQO1 P15559 1/20 0.44
MAOA P21397 1/20 0.39
LIMK1 P53667 1/20 0.39
GAA P10253 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.37
TTR P02766 1/20 0.36

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
SCHEMBL29362427 0.77 NQO1 (0.46) AHRKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL17584775 0.77 NQO1 (0.46) AHRKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL15840224 0.77 KDM4E (0.48) AHRKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1164787 0.76 AHR (0.61) AHRKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL31696573 0.76 AHR (0.61) AHRKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL3875085 0.76 NQO1 (0.47) AHRKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL6388502 0.75 AHR (0.67) AHRSMN1; SMN2TTR
SCHEMBL3881093 0.75 NQO1 (0.43) AHRKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL3882623 0.75 NQO1 (0.43) AHRKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL27876657 0.75 NQO1 (0.43) AHRKDM4EALDH1A1SMN1; SMN2HPGD

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
US-12225818-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2025-02-11 US disclosed