SCHEMBL9619978

SCHEMBL9619978

NC(C(=O)O)c1ccc2[nH]c(C(F)(F)F)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 9/20 0.44
HPGD P15428 8/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 8/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PARP1 P09874 1/20 0.43
ACP1 P24666 1/20 0.42
POLB P06746 1/20 0.41
HSD17B10 Q99714 7/20 0.41
CYP2C9 P11712 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
CYP2C19 P33261 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP2D6 P10635 1/20 0.41
GRM8 O00222 1/20 0.41

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
SCHEMBL9620098 0.79 TDP1 (0.47) SMN1; SMN2KDM4EHPGDALDH1A1PARP1
SCHEMBL3608499 0.78 PKM (0.49) SMN1; SMN2NPSR1KDM4EHPGDMAPT
SCHEMBL20644416 0.77 NPSR1 (0.53) SMN1; SMN2NPSR1KDM4EHPGDMAPT
SCHEMBL2923502 0.76 SMN1; SMN2 (0.78) SMN1; SMN2NPSR1KDM4EHPGDMAPT
SCHEMBL29488675 0.74 SMN1; SMN2 (0.58) SMN1; SMN2NPSR1KDM4EHPGDMAPT
SCHEMBL28462815 0.74 SMN1; SMN2 (0.58) SMN1; SMN2NPSR1KDM4EHPGDMAPT
SCHEMBL9619935 0.74 KDM4E (0.43) SMN1; SMN2NPSR1KDM4EHPGDMAPT
SCHEMBL16598906 0.74 SMN1; SMN2 (0.61) SMN1; SMN2NPSR1KDM4EHPGDMAPT
SCHEMBL10871977 0.72 SMN1; SMN2 (0.52) SMN1; SMN2NPSR1KDM4EHPGDMAPT
SCHEMBL1131972 0.71 MAPT (0.73) SMN1; SMN2NPSR1KDM4EHPGDMAPT

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
US-RE33948-E Bactericides, animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed
US-4748163-A Novel β-lactam antibiotics BAYER AKTIENGESELLSCHAFT (DE) 1988-05-31 US disclosed