SCHEMBL7681302

SCHEMBL7681302

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.71
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
MAPT P10636 7/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
ALDH1A1 P00352 1/20 0.64
VCP P55072 1/20 0.60
KDM4E B2RXH2 1/20 0.57
ABL1 P00519 1/20 0.57
LMNA P02545 3/20 0.55
POLB P06746 1/20 0.55
BLM P54132 1/20 0.55
ADORA3 P0DMS8 1/20 0.54
GSTO1 P78417 2/20 0.54
KDM1A O60341 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL4783840 0.90 LMNA (0.69) ALOX5MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10808572 0.84 MEN1 (0.82) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3607683 0.84 MEN1 (0.66) ALOX5MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6376187 0.79 MEN1 (0.77) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8823146 0.78 ALDH1A1 (1.00) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6227272 0.78 MAPT (0.81) ALOX5MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8172368 0.77 CA12 (0.64) MEN1KMT2AMAPTLMNAADORA3
SCHEMBL3615040 0.77 MEN1 (0.57) ALOX5MEN1KMT2AMAPTVCP
SCHEMBL23604714 0.76 ABL1 (0.74) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4555000 0.76 MAPT (0.72) ALOX5MEN1KMT2AMAPTSMN1; SMN2

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-6410533-B1 THERAPY FOR BACTERIA INFECTIONS GENZYME CORPORATION 2002-06-25 US disclosed