SCHEMBL7230333

SCHEMBL7230333

Cc1nc(-c2cc(F)c(C)c(F)c2F)nc(NCC(=O)N(C)C)c1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
GAA P10253 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
GRIN2B Q13224 9/20 0.34
GRIN1 Q05586 2/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAT2A P31153 1/20 0.32
PDE5A O76074 1/20 0.32
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 1/20 0.31
HDAC4 P56524 1/20 0.31
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL7237373 0.88 POLB (0.34) LMNASMN1; SMN2
SCHEMBL7499394 0.62 PDE4B (0.50) GAALMNASMN1; SMN2PDE5APDE4B
SCHEMBL7502894 0.61 PDE10A (0.48) LMNASMN1; SMN2PDE4BPDE4D
SCHEMBL720880 0.60 GABRA1 (0.35) LMNASMN1; SMN2
SCHEMBL5668412 0.60 NPC1 (0.39) SMN1; SMN2
SCHEMBL718683 0.59 ALPL (0.34) SMN1; SMN2
SCHEMBL31263081 0.59 MAPT (0.44) GAALMNA
SCHEMBL7107025 0.59
SCHEMBL14331171 0.59 GRIN2B (0.51) SYKGRIN2BPDE5A
SCHEMBL22312019 0.57 POLQ (0.40) GAALMNA

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-6620817-B1 Antiinflammatory, antiarthritic agents; autoimmune and rheumatic diseases DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2003-09-16 US disclosed