SCHEMBL4785402

SCHEMBL4785402

Fc1ccc(C(F)(F)CBr)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.37
PTPN1 P18031 2/20 0.37
USP2 O75604 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP19A1 P11511 2/20 0.33
IDO1 P14902 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
GSK3B P49841 1/20 0.33
HSD11B1 P28845 1/20 0.32
PAX8 Q06710 1/20 0.32
PLOD2 O00469 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL1721653 0.81 KCNN4 (0.34) KCNN4PTPN1USP2RAB9ACYP3A4
SCHEMBL19510596 0.80 CA1 (0.43) PTPN1IDO1GSK3BCA1CA2
SCHEMBL4701959 0.78 CYP19A1 (0.41) CYP19A1GSK3B
SCHEMBL6352845 0.78 SIRT2 (0.33) KCNN4PTPN1USP2RAB9ACYP3A4
SCHEMBL2281974 0.77 TSHR (0.50) KCNN4PTPN1CYP2C9CYP2C19CA1
SCHEMBL1721847 0.75 KCNN4 (0.37) KCNN4USP2RAB9ACYP3A4CYP2D6
SCHEMBL3746053 0.75 LOXL2 (0.44) KCNN4USP2RAB9ACYP3A4CYP2D6
SCHEMBL17583204 0.75 KCNN4 (0.41) KCNN4USP2RAB9ACYP3A4CYP2D6
SCHEMBL11024439 0.73 CYP3A4 (0.50) KCNN4PTPN1USP2RAB9ACYP3A4
SCHEMBL25119775 0.73 KCNN4 (0.42) KCNN4USP2RAB9ACYP3A4CYP2D6

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
WO-2008054748-A2 INDAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-05-08 WO disclosed