Isophthalic Acid

Isophthalic Acid

SCHEMBL28032858

O=C(O)c1ccc2c(c1)C(=O)NCC2.O=C(O)c1cccc(C(=O)O)c1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 8/20 0.53
PARP1 P09874 7/20 0.53
F7 P08709 1/20 0.53
F3 P13726 1/20 0.53
TDP2 O95551 2/20 0.52
PARP11 Q9NR21 4/20 0.50
PDPK1 O15530 1/20 0.50
SRD5A1 P18405 1/20 0.45
SRD5A2 P31213 1/20 0.45
CDK2 P24941 1/20 0.45
MAPKAPK2 P49137 1/20 0.44
F11 P03951 1/20 0.43
KLKB1 P03952 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
GRM5 P41594 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL20894239 0.94 PARP10 (0.58) PARP10PARP1F7F3TDP2
SCHEMBL29631237 0.94 PARP10 (0.58) PARP10PARP1F7F3TDP2
SCHEMBL30337030 0.81 PARP11 (0.58) PARP10PARP1TDP2PARP11PDPK1
SCHEMBL1417726 0.81 PARP11 (0.58) PARP10PARP1TDP2PARP11PDPK1
SCHEMBL30420500 0.80 PARP10 (0.57) PARP10PARP1F7F3TDP2
SCHEMBL14395011 0.80 PARP10 (0.61) PARP10PARP1F7F3TDP2
SCHEMBL5879567 0.78 TDP2 (0.61) TDP2SRD5A1SRD5A2F11KDM4E
SCHEMBL19150148 0.77 SRD5A2 (0.53) PARP10PARP1TDP2PARP11PDPK1
SCHEMBL12663981 0.77 PARP10 (0.56) PARP10PARP1F7F3TDP2
SCHEMBL14395236 0.77 PARP10 (0.56) PARP10PARP1F7F3PARP11

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-104870435-A Aryl and heteroaryl fused lactams PFIZER 2015-08-26 CN disclosed