SCHEMBL6258908

SCHEMBL6258908

Cc1cc(Br)cc(C(=O)NCc2ccc(F)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.53
POLB P06746 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
THRB P10828 1/20 0.53
HTT P42858 1/20 0.50
CHRM4 P08173 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.48
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
CES2 O00748 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SPR P35270 1/20 0.47

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
SCHEMBL6269798 0.79 ALDH1A1 (0.52) POLBSMN1; SMN2THRBHTTCHRM4
SCHEMBL4182437 0.77 MMP13 (0.61) MMP13POLBSMN1; SMN2THRBSLC22A8
SCHEMBL8358839 0.76 MMP13 (0.71) MMP13POLBSMN1; SMN2THRBLMNA
SCHEMBL12472899 0.74 ALDH1A1 (0.59) POLBSMN1; SMN2THRBHTTLMNA
SCHEMBL27106875 0.73 MEN1 (0.56) SMN1; SMN2THRBHTTLMNATP53
SCHEMBL7897358 0.73 GRM5 (0.70)
SCHEMBL6257633 0.73 KMT2A (0.56) POLBSMN1; SMN2THRBHTTCHRM4
SCHEMBL4173194 0.73 MMP13 (0.78) MMP13SLC22A8
SCHEMBL244641 0.72 SCD (0.58) SMN1; SMN2HTTCHRM4LMNATP53
SCHEMBL8357428 0.72 MMP13 (0.90) MMP13POLBSMN1; SMN2THRBHTT

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-2005070889-A1 HERBICIDAL AMIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-08-04 WO disclosed