SCHEMBL31590230

SCHEMBL31590230

Oc1c(Br)ccc2cc(Cl)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.41
▸ CYP2A6 P11509 1/20 0.40
▸ AMY1A P0DUB6 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TYMS P04818 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34

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
SCHEMBL23155056 1.00 AR (0.41) ARCYP2A6AMY1AALDH1A1HSD17B10
SCHEMBL23155057 0.86 AR (0.39) ARCYP2A6AMY1AALDH1A1HSD17B10
SCHEMBL6356363 0.79 PTPN22 (0.50) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL29683574 0.79 ESR1 (0.43) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL3862631 0.79 TSHR (0.48) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL28982382 0.79 ERN1 (0.50) CYP2A6ALDH1A1TSHRTDP1CYP3A4
SCHEMBL9234881 0.79 ESR1 (0.43) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL25197227 0.76 ESR1 (0.58) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL25302675 0.76 TYMS (0.41) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL12965238 0.76 POLB (0.43) CYP2A6ALDH1A1HSD17B10TSHRTDP1

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
CN-120040425-A Organic electroluminescent compound, organic electroluminescent material containing double bodies and light-emitting device 吉林奥来德光电材料股份有限公司 2025-05-27 — — CN disclosed
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