SCHEMBL9001002

SCHEMBL9001002

CC(C)(C)NC(=O)Oc1c(O)c2ccccc2[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NLRP3 Q96P20 1/20 0.52
ALDH1A1 P00352 6/20 0.49
MAPT P10636 4/20 0.49
POLB P06746 1/20 0.49
IDE P14735 1/20 0.49
MPI P34949 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
IMPDH2 P12268 1/20 0.47
DAO P14920 1/20 0.46
DDO Q99489 1/20 0.46
HSD17B10 Q99714 1/20 0.45
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL9000750 0.81 KDM4E (0.57) KDM4EKMT2AMEN1SMN1; SMN2NLRP3
SCHEMBL6579453 0.80 KDM4E (0.57) KDM4EKMT2AMEN1SMN1; SMN2NLRP3
SCHEMBL9000730 0.80 DAO (0.37) KDM4EKMT2AMEN1SMN1; SMN2NLRP3
SCHEMBL8481568 0.78 KMT2A (0.68) KDM4EKMT2AMEN1SMN1; SMN2NLRP3
SCHEMBL6579403 0.77 KDM4E (0.53) KDM4EKMT2AMEN1SMN1; SMN2NLRP3
SCHEMBL6577224 0.75 KDM4E (0.66) KDM4EKMT2AMEN1SMN1; SMN2NLRP3
SCHEMBL6579858 0.72 KDM4E (0.57) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL9341752 0.70 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL6579272 0.70 KDM4E (0.59) KDM4EALDH1A1MAPTPOLBIDE
SCHEMBL10018546 0.69 KDM4E (0.62) KDM4EKMT2AMEN1SMN1; SMN2NLRP3

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
EP-0544152-B1 Herbicidal quinoline-3-carbonamides BASF AG (DE) 1996-09-11 EP disclosed
EP-0544152-A1 Herbicidal quinoline-3-carbonamides BASF Aktiengesellschaft (DE) 1993-06-02 EP disclosed