SCHEMBL31060597

SCHEMBL31060597

O=c1cc(-c2ccccc2F)oc2c1ccc1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 10/20 1.00
CYP1B1 Q16678 10/20 1.00
CYP1A2 P05177 9/20 1.00
PRKDC P78527 4/20 1.00
CYP3A4 P08684 2/20 0.71
TSHR P16473 2/20 0.71
CYP2C19 P33261 2/20 0.71
AHR P35869 1/20 0.67
XDH P47989 1/20 0.67
HPGD P15428 2/20 0.65
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
ABCC1 P33527 2/20 0.65
ABCG2 Q9UNQ0 2/20 0.65
PDE5A O76074 1/20 0.65
TP53 P04637 1/20 0.65
ABCB1 P08183 1/20 0.65
CYP2D6 P10635 1/20 0.65
MAPT P10636 1/20 0.65
CYP19A1 P11511 1/20 0.65

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
SCHEMBL4649947 0.80 CYP3A4 (0.76) CYP1A1CYP1B1CYP1A2PRKDCCYP3A4
Alpha-Naphthoflavone SCHEMBL121594 0.79 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2PRKDCCYP3A4
Alpha-Naphthoflavone SCHEMBL29351090 0.79 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2PRKDCCYP3A4
SCHEMBL31061033 0.78 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2PRKDCCYP3A4
SCHEMBL8093194 0.77 NPC1 (1.00) CYP1A1CYP1B1CYP1A2PRKDCCYP3A4
SCHEMBL4069839 0.74 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2PRKDCCYP3A4
SCHEMBL31061133 0.74 PRKDC (1.00) CYP1A1CYP1B1CYP1A2PRKDCCYP3A4
SCHEMBL20594586 0.74 CYP1A1 (0.78) CYP1A1CYP1B1CYP1A2PRKDCCYP3A4
SCHEMBL30917246 0.74 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2PRKDCCYP3A4
SCHEMBL29407618 0.74 CYP1A1 (0.78) CYP1A1CYP1B1CYP1A2PRKDCCYP3A4

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