SCHEMBL28793940

SCHEMBL28793940

C=C(C(=O)OC(=O)c1ccc(-c2cccc(N(C)C(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-])C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
ABCB1 P08183 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PAX8 Q06710 1/20 0.33
CREBBP Q92793 1/20 0.32
CRHR1 P34998 1/20 0.31
MAPT P10636 3/20 0.31
ERN1 O75460 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
THRB P10828 1/20 0.31
USP30 Q70CQ3 1/20 0.31
DHODH Q02127 1/20 0.30
ATM Q13315 1/20 0.30
ALOX5 P09917 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL28793937 0.88 ALDH1A1 (0.33) BRD4ABCB1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1319017 0.88 BRD4 (0.47) BRD4ABCB1SMN1; SMN2ALDH1A1PAX8
SCHEMBL28793939 0.86 BRD4 (0.43) BRD4ABCB1SMN1; SMN2ALDH1A1PAX8
SCHEMBL27828367 0.84 BRD4 (0.33) BRD4ABCB1PAX8MAPTMEN1
SCHEMBL27989386 0.80 CYP17A1 (0.44) BRD4ABCB1SMN1; SMN2CREBBPMAPT
SCHEMBL27696823 0.80 ABCB1 (0.38) ABCB1ALDH1A1MAPTLMNANPC1
SCHEMBL1317398 0.76 ALDH1A1 (0.37) BRD4ABCB1SMN1; SMN2ALDH1A1MAPT
SCHEMBL27989088 0.75 TRPV1 (0.39) ABCB1SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL29559571 0.74 MAPT (0.40) BRD4SMN1; SMN2ALDH1A1PAX8CREBBP
SCHEMBL28793935 0.74 ALDH1A1 (0.34) BRD4ABCB1SMN1; SMN2ALDH1A1THRB

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-102333757-A N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD 2012-01-25 CN disclosed