SCHEMBL28046722

SCHEMBL28046722

Cc1nc(-c2ccccc2Cl)c(C(=O)O)cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
DHODH Q02127 5/20 0.46
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALPL P05186 1/20 0.42
NOTUM Q6P988 1/20 0.41
LMNA P02545 1/20 0.41
GRM2 Q14416 1/20 0.41
GLA P06280 1/20 0.41
CNR1 P21554 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
SCHEMBL8946514 0.80 KMT2A (0.54) KMT2ADHODHALDH1A1KDM4EHPGD
SCHEMBL1016143 0.78 KMT2A (0.58) KMT2ADHODHALDH1A1MEN1HPGD
SCHEMBL5189312 0.74 CNR1 (0.48) KMT2ADHODHALDH1A1MEN1KDM4E
SCHEMBL14252651 0.73 ALDH1A1 (0.54) KMT2ADHODHALDH1A1MEN1KDM4E
SCHEMBL8946636 0.73 ALDH1A1 (0.54) KMT2ADHODHALDH1A1MEN1KDM4E
SCHEMBL8946526 0.72 KMT2A (0.46) KMT2ADHODHALDH1A1MEN1HPGD
SCHEMBL70795 0.72 SMN1; SMN2 (0.65) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL8946605 0.71 KMT2A (0.45) KMT2ADHODHALDH1A1CNR1
SCHEMBL6016328 0.71 RXFP1 (0.53) KMT2AMEN1KDM4EHPGDLMNA
SCHEMBL3442759 0.71 HPGD (0.52) KMT2ADHODHALDH1A1KDM4EHPGD

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-105301164-A Detection method of levamlodipine besylate tablet related substances YICHANG CHANGJIANG PHARMACEUTICAL CO LTD 2016-02-03 CN disclosed