SCHEMBL31061133

SCHEMBL31061133

Nc1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 1.00
CYP1A1 P04798 13/20 0.78
CYP1B1 Q16678 13/20 0.78
CYP1A2 P05177 12/20 0.78
ABCB1 P08183 3/20 0.78
ABCC1 P33527 3/20 0.78
ABCG2 Q9UNQ0 3/20 0.78
KDM4E B2RXH2 1/20 0.78
PDE5A O76074 1/20 0.78
ALDH1A1 P00352 1/20 0.78
TP53 P04637 1/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2D6 P10635 1/20 0.78
MAPT P10636 1/20 0.78
CYP19A1 P11511 1/20 0.78
CYP2C9 P11712 1/20 0.78
HPGD P15428 1/20 0.78
TSHR P16473 1/20 0.78
CYP2B6 P20813 1/20 0.78
TACR2 P21452 1/20 0.78

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
Alpha-Naphthoflavone SCHEMBL29351090 0.88 CYP1A1 (1.00) PRKDCCYP1A1CYP1B1CYP1A2ABCB1
Alpha-Naphthoflavone SCHEMBL121594 0.88 CYP1A1 (1.00) PRKDCCYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL20594586 0.86 CYP1A1 (0.78) PRKDCCYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL29407618 0.86 CYP1A1 (0.78) PRKDCCYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL30917246 0.83 CYP1A1 (1.00) PRKDCCYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL4069839 0.83 CYP1A1 (1.00) PRKDCCYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL14697066 0.82 CYP1A1 (0.77) PRKDCCYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL4650874 0.82 CYP1A1 (1.00) PRKDCCYP1A1CYP1B1CYP1A2ABCB1
Alpha-Naphthoflavone SCHEMBL17292887 0.81 CYP1A1 (0.84) PRKDCCYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL14708624 0.81 MCL1 (1.00) PRKDCCYP1A1CYP1B1CYP1A2ABCB1

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
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed