SCHEMBL29290339

SCHEMBL29290339

COc1ccc(-c2cc(C(=O)O)c3cc(OC(F)(F)F)ccc3n2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.73
KDM4E B2RXH2 4/20 0.70
PLA2G2A P14555 6/20 0.70
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
NPC1 O15118 1/20 0.57
LMNA P02545 1/20 0.57
NFKB1 P19838 1/20 0.57
RAB9A P51151 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
ATM Q13315 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.55
TP53 P04637 1/20 0.53

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
SCHEMBL6309512 0.90 DHODH (0.73) DHODHKDM4EPLA2G2AMAPTSMN1; SMN2
SCHEMBL1896811 0.90 DHODH (0.72) DHODHKDM4EPLA2G2AMAPTSMN1; SMN2
SCHEMBL116058 0.89 DHODH (0.71) DHODHKDM4EPLA2G2AALDH1A1HPGD
SCHEMBL6182924 0.89 DHODH (0.87) DHODHKDM4EPLA2G2AMAPTALDH1A1
SCHEMBL6304386 0.88 DHODH (0.74) DHODHKDM4EPLA2G2AMAPTSMN1; SMN2
SCHEMBL4601899 0.88 DHODH (0.61) DHODHKDM4EPLA2G2AMAPTSMN1; SMN2
SCHEMBL23590078 0.84 KDM4E (0.65) DHODHKDM4EPLA2G2AMAPTSMN1; SMN2
SCHEMBL3235591 0.84 PLA2G2A (0.84) DHODHKDM4EPLA2G2AMAPTSMN1; SMN2
SCHEMBL7823061 0.84 KDM4E (0.79) DHODHKDM4EPLA2G2AMAPTSMN1; SMN2
SCHEMBL245078 0.83 PLA2G2A (0.81) DHODHKDM4EPLA2G2AMAPTSMN1; 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
CN-113613730-A Quinoline carboxamide derivative and process for producing intermediate for producing same 株式会社益力多本社 2021-11-05 CN disclosed