SCHEMBL7337116

SCHEMBL7337116

Oc1c(Br)cc(Cc2ccc3ccccc3c2)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
CETP P11597 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2A6 P11509 2/20 0.46
NQO1 P15559 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTPN1 P18031 1/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL5900962 0.80 CYP1A2 (0.60) ALOX5CYP1A2CYP2A6KMT2ACYP2D6
SCHEMBL2838141 0.80 CYP1A2 (0.65) ALOX5CYP1A2CYP2A6KMT2ACYP2D6
SCHEMBL6947008 0.79 PTPN1 (0.55) ALOX5MEN1KMT2APTPN1CRHBP
SCHEMBL35308 0.78 PTPN1 (0.61) MEN1KMT2APTPN1CRHBPCRHR2
SCHEMBL18482937 0.77 CYP2A6 (0.58) ALOX5CYP1A2CYP2A6CYP2D6NFKB1
SCHEMBL28846677 0.76 CYP1A2 (0.60) ALOX5CYP1A2CYP2A6KMT2ACYP2D6
SCHEMBL598561 0.74 CYP1A2 (0.58) ALOX5CYP1A2CYP2A6KMT2ACYP2D6
SCHEMBL29417927 0.74 CYP1A2 (0.58) ALOX5CYP1A2CYP2A6KMT2ACYP2D6
SCHEMBL28256206 0.74 ALOX5 (0.53) ALOX5CYP1A2CYP2A6MEN1KMT2A
SCHEMBL4653640 0.74 ALOX5 (0.62) ALOX5CETPCYP1A2CYP2A6NFKB1

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
US-6110963-A FOR PROPHYLAXIS AND TREATMENT OF INSULIN RESISTANCE, HYPERGLYCEMIA, TYPE II DIABETES, MOLULATING GLUCOSE LEVELS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-29 US disclosed