SCHEMBL28210386

SCHEMBL28210386

O=C(O)c1cccc(-c2ccn[nH]2)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
CD74 P04233 1/20 0.49
MIF P14174 1/20 0.49
FTO Q9C0B1 1/20 0.44
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
HCAR2 Q8TDS4 1/20 0.42
SCN4A P35499 1/20 0.42
BCAT2 O15382 3/20 0.40
HSD17B10 Q99714 1/20 0.40
PIM1 P11309 1/20 0.38
LIG1 P18858 1/20 0.38
HPGDS O60760 1/20 0.38
FOLH1 Q04609 1/20 0.38
HNF4A P41235 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL7840196 0.85 IDO1 (0.59) IDO1CD74MIFFTOCYP4F2
SCHEMBL28706659 0.83 FTO (0.49) IDO1CD74MIFFTOCYP4F2
SCHEMBL16043233 0.80 CA12 (0.57) IDO1CD74MIFCYP4F2CYP4A11
SCHEMBL16179428 0.79 IDO1 (0.49) IDO1CD74MIFCYP4F2CYP4A11
SCHEMBL63603 0.78 HSD17B10 (0.58) HSD17B10LIG1FOLH1HNF4AKDM4E
SCHEMBL5554145 0.76 HSD17B10 (0.56) HSD17B10LIG1FOLH1HNF4AKDM4E
Water SCHEMBL7131144 0.76 HSD17B10 (0.56) HSD17B10LIG1FOLH1HNF4AKDM4E
SCHEMBL6941870 0.74 ALDH1A1 (0.59) HSD17B10LIG1FOLH1HNF4AKDM4E
SCHEMBL5321232 0.74 ALDH1A1 (0.59) HSD17B10LIG1FOLH1HNF4AKDM4E
SCHEMBL5321419 0.74 ALDH1A1 (0.59) HSD17B10LIG1FOLH1HNF4AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109688816-A Active compound combinations and method for protecting plant propagation material 拜耳作物科学股份公司 2019-04-26 CN claimed
CN-109688816-A Active compound combinations and method for protecting plant propagation material 拜耳作物科学股份公司 2019-04-26 CN disclosed
CN-105324031-B Active substance combinations having insecticidal properties 拜耳作物科学股份公司 2018-11-13 CN disclosed
CN-105307492-B Binary desinsection or deinsectization mixture 拜耳作物科学股份公司 2018-03-30 CN disclosed