SCHEMBL31376015

SCHEMBL31376015

CCn1ccc(C=O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.32
▸ DRD3 P35462 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ ERN1 O75460 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ S1PR4 O95977 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL29955121 0.72 PTGER4 (0.33) PTGER4TDP1MEN1KMT2AALDH1A1
SCHEMBL16860641 0.72 — —
SCHEMBL30611846 0.69 CYP19A1 (0.32) PTGER4MEN1KMT2AALDH1A1GAA
SCHEMBL26106959 0.69 CYP3A4 (0.35) TDP1MEN1KMT2AALDH1A1GAA
SCHEMBL26105147 0.69 CYP19A1 (0.32) PTGER4MEN1KMT2AALDH1A1GAA
SCHEMBL31347032 0.69 CYP3A4 (0.35) TDP1MEN1KMT2AALDH1A1GAA
SCHEMBL29955958 0.67 ALDH1A1 (0.43) TDP1MEN1KMT2ALMNAALDH1A1
SCHEMBL1253456 0.67 ALDH1A1 (0.43) TDP1MEN1KMT2ALMNAALDH1A1
SCHEMBL4619122 0.67 HDAC3 (0.40) TDP1MEN1KMT2ALMNATHRB
SCHEMBL29616294 0.65 ALDH1A1 (0.31) ALDH1A1TSHR

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-119219608-A Polycyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-12-31 — — CN disclosed
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