SCHEMBL30714533

SCHEMBL30714533

Nc1ccc(C(F)(F)F)c(-c2cncc(F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 14/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
KIF11 P52732 1/20 0.42
CYP11B1 P15538 12/20 0.40
TRPA1 O75762 1/20 0.39
CYP17A1 P05093 2/20 0.37
CYP3A4 P08684 2/20 0.37
IDO1 P14902 1/20 0.36
PTGES O14684 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL26923125 1.00 CYP11B2 (0.44) CYP11B2GLAPOLBGAATSHR
SCHEMBL2652002 0.80 MAP4K4 (0.44) CYP11B2CYP11B1CYP17A1CYP3A4
SCHEMBL7085699 0.80 CYP11B1 (0.40) CYP11B2CYP11B1CYP17A1CYP3A4MEN1
SCHEMBL30296524 0.78 CYP11B2 (0.41) CYP11B2GLAPOLBGAATSHR
SCHEMBL26922914 0.78 CYP11B2 (0.44) CYP11B2TSHRCYP11B1CYP17A1CYP3A4
SCHEMBL30714465 0.78 ABL1 (0.41) CYP11B2TSHRCYP11B1CYP17A1CYP3A4
SCHEMBL26923550 0.78 ABL1 (0.41) CYP11B2TSHRCYP11B1CYP17A1CYP3A4
SCHEMBL3784686 0.76 KIF11 (0.58) GLAPOLBGAATSHRKIF11
SCHEMBL2808894 0.75 TSHR (0.67) GLAPOLBGAATSHRKIF11
SCHEMBL30714499 0.75 CYP11B1 (0.37) CYP11B2CYP11B1CYP17A1CYP3A4

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-4536637-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Nico Therapeutics, Inc. (US) 2025-04-16 EP disclosed
WO-2023240084-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2023-12-14 WO disclosed