SCHEMBL10414520

SCHEMBL10414520

CC(O)c1nc2nc(C(F)(F)F)cc(S)n2n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SORD Q00796 1/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CRHBP P24387 1/20 0.32
CYP2C19 P33261 1/20 0.32
CRHR2 Q13324 1/20 0.32
ALPL P05186 3/20 0.31
ALPI P09923 3/20 0.31

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
SCHEMBL10414519 0.83 SORD (0.38) SORDKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9822064 0.79 KMT2A (0.37) SORDKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9822276 0.77
SCHEMBL9822398 0.74 ALDH1A1 (0.34) KDM4EALDH1A1HPGDSMN1; SMN2KDM5B
SCHEMBL9822160 0.73 ALDH1A1 (0.34) KDM4EALDH1A1HPGDSMN1; SMN2KDM5B
SCHEMBL10407282 0.72 KMT2A (0.47) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL10618999 0.71 ALPL (0.36) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL9822063 0.71 KDM4E (0.35) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL9822214 0.70 SORD (0.35) SORD
SCHEMBL9822195 0.66

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-4956462-A Bactericides, ANTIBIOTICS, CEPHALOSPORINS SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-11 US disclosed