SCHEMBL23536624

SCHEMBL23536624

Fc1cc(Cl)cc(F)c1-c1cccc2[nH]ncc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.53
METAP2 P50579 4/20 0.53
BRD4 O60885 1/20 0.46
AXL P30530 2/20 0.45
IDO1 P14902 1/20 0.42
BRAF P15056 6/20 0.41
RAF1 P04049 5/20 0.41
TRPA1 O75762 2/20 0.40

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
SCHEMBL28198038 0.77 METAP2 (0.64) NOS1METAP2BRD4AXLIDO1
SCHEMBL31299391 0.74 METAP2 (0.53) NOS1METAP2AXLIDO1TRPA1
SCHEMBL14737953 0.74 METAP2 (0.53) NOS1METAP2AXLIDO1TRPA1
SCHEMBL30469214 0.74 AXL (0.63) NOS1METAP2BRD4AXLIDO1
SCHEMBL5951586 0.74 AXL (0.63) NOS1METAP2BRD4AXLIDO1
SCHEMBL23536668 0.73 ROCK2 (0.49) NOS1AXLBRAFRAF1TRPA1
SCHEMBL23520254 0.72 METAP2 (0.49) NOS1METAP2BRD4AXLIDO1
SCHEMBL14631290 0.71 NOS1 (0.50) NOS1METAP2AXLIDO1BRAF
SCHEMBL31178711 0.70 CSF1R (0.57) NOS1METAP2
SCHEMBL476854 0.70 NOS1 (1.00) NOS1METAP2AXLIDO1TRPA1

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
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed