SCHEMBL6960838

SCHEMBL6960838

Cc1ccccc1Oc1[c]cc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
TBXA2R P21731 4/20 0.41
MAPT P10636 6/20 0.40
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GLA P06280 1/20 0.40
HTT P42858 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL6972654 0.78 LMNA (0.44) SMN1; SMN2TBXA2RMAPTALDH1A1MEN1
SCHEMBL8115250 0.77 HPGD (0.40) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL4378038 0.76 HSPB1 (0.56) SMN1; SMN2TBXA2RMAPTALDH1A1MEN1
SCHEMBL6960847 0.76 ACHE (0.52) SMN1; SMN2TBXA2RMAPTALDH1A1MEN1
SCHEMBL22966296 0.75 TBXA2R (0.56) SMN1; SMN2TBXA2RMAPTALDH1A1MEN1
SCHEMBL192974 0.74 HTT (0.44) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL8715421 0.73 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRTDP1ACHE
SCHEMBL10422274 0.73 HSD17B10 (0.58) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL1030905 0.73 APP (0.48) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL8973686 0.72 HSPB1 (0.69) SMN1; SMN2TBXA2RMAPTALDH1A1MEN1

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed