SCHEMBL30744127

SCHEMBL30744127

O=c1cc(-c2ccc(O)c(F)c2)oc2c(Cl)cccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 7/20 0.54
▸ TERT O14746 6/20 0.53
▸ CYP1A1 P04798 6/20 0.52
▸ CYP1A2 P05177 6/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ BRD4 O60885 1/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ ALOX15 P16050 3/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ TP53 P04637 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ CSNK2A2 P19784 3/20 0.50
▸ CSNK2B P67870 3/20 0.50

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
SCHEMBL21801111 1.00 CYP1B1 (0.54) CYP1B1TERTCYP1A1CYP1A2MCL1
SCHEMBL10215550 0.87 TERT (0.56) CYP1B1TERTCYP1A1CYP1A2MCL1
Hydrochloric Acid SCHEMBL312701 0.86 TERT (0.55) CYP1B1TERTCYP1A1CYP1A2MCL1
SCHEMBL30744102 0.85 CSNK2A2 (0.59) CYP1B1TERTCYP1A1CYP1A2MCL1
SCHEMBL21801212 0.85 CSNK2A2 (0.53) TERTMCL1BRD4KDM4EALDH1A1
SCHEMBL30744106 0.85 CSNK2A2 (0.53) TERTMCL1BRD4KDM4EALDH1A1
SCHEMBL21801209 0.85 CSNK2A2 (0.59) CYP1B1TERTCYP1A1CYP1A2MCL1
SCHEMBL21801304 0.82 TERT (0.51) CYP1B1TERTCYP1A1MCL1BRD4
SCHEMBL30744114 0.82 TERT (0.51) CYP1B1TERTCYP1A1MCL1BRD4
SCHEMBL21801095 0.82 TDP1 (0.64) CYP1B1TERTCYP1A1CYP1A2MCL1

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-112601743-B Flavone compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2023-12-19 — — CN disclosed
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