SCHEMBL25647648

SCHEMBL25647648

COc1cc(C)c2cc[nH]c2c1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 4/20 0.42
▸ CYP19A1 P11511 2/20 0.41
▸ CFB P00751 6/20 0.37
▸ P2RX7 Q99572 2/20 0.36
▸ BRD4 O60885 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NR3C1 P04150 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL24835784 0.85 CFB (0.42) CFBP2RX7
SCHEMBL18876055 0.80 CFB (0.41) CFBP2RX7KDM4EALDH1A1HPGD
SCHEMBL25647643 0.80 CFB (0.39) NQO2CYP19A1CFBP2RX7BRD4
SCHEMBL10257960 0.77 NQO2 (0.41) NQO2CYP19A1CFBP2RX7BRD4
SCHEMBL27873687 0.75 CFB (0.40) CFBBRD4
SCHEMBL15590525 0.75 CFB (0.39) NQO2CYP19A1CFBP2RX7KDM4E
SCHEMBL25748345 0.73 NR3C1 (0.41) NQO2CYP19A1CFBP2RX7BRD4
SCHEMBL26145674 0.73 AURKA (0.36) CFBP2RX7KDM4EALDH1A1HPGD
SCHEMBL25647609 0.73 NQO2 (0.41) NQO2CYP19A1CFBBRD4KDM4E
SCHEMBL26145362 0.71 NQO2 (0.40) NQO2CYP19A1BRD4KDM4EALDH1A1

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-4194449-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2023-06-14 — — EP disclosed
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