SCHEMBL30036330

SCHEMBL30036330

COCCN1C(=O)COc2cc(N)c(C(=O)OC)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ TSHR P16473 3/20 0.47
▸ REN P00797 1/20 0.43
▸ THRB P10828 2/20 0.39
▸ KMO O15229 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PLK1 P53350 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL23577961 1.00 KDM4E (0.49) KDM4EALDH1A1TSHRRENTHRB
SCHEMBL30036618 0.90 KDM4E (0.52) KDM4EALDH1A1TSHRMAPTGAA
SCHEMBL28965596 0.90 KDM4E (0.52) KDM4EALDH1A1TSHRMAPTGAA
SCHEMBL25387698 0.83 KDM4E (0.48) KDM4EALDH1A1TSHRMAPTGAA
SCHEMBL23577653 0.83 KDM4E (0.48) KDM4EALDH1A1TSHRHSD17B10PLK1
SCHEMBL30036279 0.83 KDM4E (0.48) KDM4EALDH1A1TSHRHSD17B10PLK1
SCHEMBL23578383 0.83 KDM4E (0.56) KDM4EALDH1A1TSHRMAPTGAA
SCHEMBL30034996 0.83 KDM4E (0.56) KDM4EALDH1A1TSHRMAPTGAA
SCHEMBL29267734 0.83 TSHR (0.44) KDM4EALDH1A1TSHRTHRBKMO
SCHEMBL17934375 0.82 EGFR (0.48) KDM4EALDH1A1CYP3A4CYP2C19CHRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115605476-A Substituted tricyclic compounds 鲁宾有限公司(IN) 2023-01-13 — — CN disclosed
EP-4081521-A1 SUBSTITUTED TRICYCLIC COMPOUNDS Lupin Limited (IN) 2022-11-02 — — EP disclosed
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