SCHEMBL8002116

SCHEMBL8002116

NC(=O)c1cc(Nc2ccccc2)c(C(=O)O)cc1Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
GFER P55789 1/20 0.67
NGLY1 Q96IV0 1/20 0.67
FABP4 P15090 1/20 0.56
AKR1C3 P42330 2/20 0.55
AKR1C2 P52895 2/20 0.55
SIRT2 Q8IXJ6 9/20 0.54
SIRT1 Q96EB6 4/20 0.54
CTSV O60911 1/20 0.53
CTSL P07711 1/20 0.53
BRD4 O60885 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
JAK2 O60674 1/20 0.49

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
SCHEMBL19934325 0.91 MAPT (0.56) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL351705 0.91 MAPT (0.79) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL9409097 0.89 MAPT (0.57) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL9172301 0.89 MAPT (0.76) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL2723037 0.87 SIRT2 (0.58) MAPTGFERNGLY1FABP4SIRT2
Hydrochloric Acid SCHEMBL28298843 0.83 MAPT (0.73) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL8833788 0.83 MAPT (0.67) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL11177202 0.82 AKR1C3 (0.57) MAPTGFERNGLY1AKR1C3AKR1C2
SCHEMBL11179054 0.81 AKR1C3 (0.60) MAPTGFERNGLY1AKR1C3AKR1C2
SCHEMBL2425054 0.81 MAPT (0.62) MAPTGFERNGLY1AKR1C3AKR1C2

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
US-6284890-B1 CYCLIZING A 2,5-DIARYLAMINO-6,13-DIHYDROTEREPHTHALIC ACID WITH POLYPHOSPHORIC ACID AND TREATING THE MELT WITH SULFURIC ACID; SMALL PARTICLE SIZE CIBA SPECIALTY CHEMICALS CORP. 2001-09-04 US disclosed