SCHEMBL27716645

SCHEMBL27716645

CC(C)(C)OOC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
PYGL P06737 8/20 0.48
PYGM P11217 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
MITF O75030 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
ERO1A Q96HE7 1/20 0.46
SNCA P37840 1/20 0.46

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
SCHEMBL27696971 0.93 PYGL (0.53) FFAR1MEN1KMT2APYGLPYGM
SCHEMBL2270545 0.91 FFAR1 (0.56) FFAR1MEN1KMT2APYGLPYGM
SCHEMBL27696804 0.88 KMT2A (0.53) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL27696820 0.88 MEN1 (0.46) MEN1KMT2APYGLPYGMKDM4E
SCHEMBL27848577 0.85 SNCA (0.58) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL2273149 0.85 MEN1 (0.66) FFAR1MEN1KMT2APYGLPYGM
SCHEMBL27716688 0.83 HDAC2 (0.50) KDM4EMAPK1
SCHEMBL2274803 0.83 PYGL (0.55) FFAR1MEN1KMT2APYGLPYGM
SCHEMBL27848661 0.82 IGF2BP2 (0.49) PYGLPYGMNPC1RAB9A
SCHEMBL27696802 0.82 HSD17B10 (0.42) MEN1KMT2APYGLPYGMKDM4E

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
CN-101094829-B novel anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO.,LTD. (JP) 2012-02-08 CN disclosed
CN-101094829-A Novel anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2007-12-26 CN disclosed