SCHEMBL6748840

SCHEMBL6748840

Cc1ccc(C(=O)C2=NN(c3ccccc3)C(=O)C2(O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
AKR1C3 P42330 1/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
GLA P06280 1/20 0.41
TNNI3 P19429 1/20 0.41
CRHBP P24387 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 1/20 0.41
CRHR2 Q13324 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SRD5A2 P31213 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40

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
SCHEMBL418889 0.88 MAPT (0.47) MEN1KMT2AL3MBTL1LMNAHTT
SCHEMBL6933067 0.81 POLB (0.40) MEN1KMT2AL3MBTL1HTTSMN1; SMN2
SCHEMBL6930354 0.81 POLB (0.46) MEN1KMT2AL3MBTL1LMNAHTT
SCHEMBL6933157 0.77 GAA (0.46) MEN1KMT2AL3MBTL1LMNASMN1; SMN2
SCHEMBL6930693 0.77 GAA (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6930285 0.75 SMN1; SMN2 (0.43) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL8489121 0.72 APP (0.43) MEN1KMT2AL3MBTL1HTTSMN1; SMN2
SCHEMBL6933815 0.72 RAB9A (0.45) KMT2ACRHBPCRHR2L3MBTL1HTT
SCHEMBL6748713 0.71 MEN1 (0.47) KDM4AKDM2AAKR1C3MEN1KMT2A
SCHEMBL6928227 0.71 SMN1; SMN2 (0.43) MEN1KMT2ALMNAHTTSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713503-B1 1-(2,4-DIMETHYL-PHENYL)-2,4-DIHYDROXY-3-(4-METHYL-BENZOYL)-5-OXO-2,5 -DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER UNIVERSITY OF CENTRAL FLORIDA 2004-03-30 US disclosed
US-6713503-B1 1-(2,4-DIMETHYL-PHENYL)-2,4-DIHYDROXY-3-(4-METHYL-BENZOYL)-5-OXO-2,5 -DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER UNIVERSITY OF CENTRAL FLORIDA 2004-03-30 US disclosed
US-6703426-B1 4-(4-CHLORO-PHENYL)-2,4-DIOXO-3- (PHENYL-HYDRAZONO)-BUTYRIC ACID ETHYL ESTER IS ADMINISTERED UNIVERSITY OF CENTRAL FLORIDA 2004-03-09 US disclosed
US-6703426-B1 4-(4-CHLORO-PHENYL)-2,4-DIOXO-3- (PHENYL-HYDRAZONO)-BUTYRIC ACID ETHYL ESTER IS ADMINISTERED UNIVERSITY OF CENTRAL FLORIDA 2004-03-09 US disclosed
US-6638975-B1 Treatment of breast cancer UNIVERSITY OF CENTRAL FLORIDA 2003-10-28 US disclosed
US-6638975-B1 Treatment of breast cancer UNIVERSITY OF CENTRAL FLORIDA 2003-10-28 US disclosed
US-6602907-B1 Treatment of breast cancer UNIVERSITY OF CENTRAL FLORIDA 2003-08-05 US disclosed
US-6602907-B1 Treatment of breast cancer UNIVERSITY OF CENTRAL FLORIDA 2003-08-05 US disclosed