SCHEMBL7613093

SCHEMBL7613093

COc1ccccc1N(C(N)=O)c1ccccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 5/20 0.45
HPGD P15428 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
CTSD P07339 1/20 0.45
PTPN1 P18031 3/20 0.45
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
TSHR P16473 1/20 0.44
GGT1 P19440 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
BLM P54132 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.43

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
SCHEMBL10424602 0.90 CA1 (0.50) HTTKMT2AKDM4EALDH1A1CTSD
SCHEMBL6262572 0.85 HTT (0.47) HTTKMT2AKDM4EALDH1A1HSD17B10
SCHEMBL27517615 0.83 TP53 (0.48) HTTKMT2AKDM4EHPGDALDH1A1
SCHEMBL7616834 0.79 LMNA (0.50) HTTKMT2AKDM4EHPGDALDH1A1
SCHEMBL6438589 0.78 PTPN1 (0.49) HTTKMT2AKDM4EHPGDALDH1A1
SCHEMBL4601280 0.78 PAX8 (0.50) HTTKMT2AESR1TSHRCA12
SCHEMBL27499847 0.77 ESR1 (0.48) HTTKMT2ACTSDESR1TSHR
SCHEMBL27576151 0.77 KMT2A (0.42) KMT2AKDM4EHPGDALDH1A1HSD17B10
SCHEMBL11381825 0.76 CA1 (0.50) HTTKMT2AKDM4EALDH1A1CTSD
SCHEMBL7614229 0.76 MTNR1A (0.48) HTTKMT2AKDM4EHPGDALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906273-B1 PHENYL DERIVATIVES CONTAINING AN ACIDIC GROUP, THEIR PREPARATION AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2002-10-16 EP disclosed
US-6417393-B1 TREATMENT OF SICKLE-CELL ANEMIA, BRAIN EDEMA FROM TUMORS OR ISCHEMIA, DIARRHEA, AND GLAUCOMA; HYPOTENSIVE, WOUND HEALING, ANTIINFLAMMATORY AND ANTIALLERGEN AGENTS NEUROSEARCH A/S (DK) 2002-07-09 US disclosed
EP-0906273-A1 PHENYL DERIVATIVES CONTAINING AN ACIDIC GROUP, THEIR PREPARATION AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 1999-04-07 EP disclosed
WO-1997045400-A1 PHENYL DERIVATIVES CONTAINING AN ACIDIC GROUP, THEIR PREPARATION AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 1997-12-04 WO disclosed