SCHEMBL7614229

SCHEMBL7614229

COc1cccc(N(C(N)=O)c2ccccc2C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
PARP1 P09874 1/20 0.44
LMNA P02545 2/20 0.43
HSD17B2 P37059 2/20 0.43
RAB9A P51151 1/20 0.43
HSD17B1 P14061 1/20 0.43
PTGIR P43119 1/20 0.42
PTGDR Q13258 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
NOTUM Q6P988 1/20 0.42
PTPN1 P18031 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL15779182 0.85 MTNR1A (0.46) MTNR1AMTNR1BPOLBPARP1LMNA
SCHEMBL27587717 0.85 MTNR1A (0.46) MTNR1AMTNR1BPARP1LMNAHSD17B2
SCHEMBL7616834 0.85 LMNA (0.50) KDM4ELMNARAB9APTPN1MEN1
SCHEMBL28382188 0.84 PARP1 (0.56) MTNR1AMTNR1BPARP1HSD17B2HSD17B1
SCHEMBL6438589 0.82 PTPN1 (0.49) KDM4EPOLBRAB9APTPN1KMT2A
SCHEMBL7613732 0.78 AKR1C3 (0.54) KDM4EPOLBLMNAHSD17B2HSD17B1
SCHEMBL6440646 0.77 GRIK1 (0.44) KDM4ELMNARAB9APTGIRNOTUM
SCHEMBL27605751 0.77 TP53 (0.46) MTNR1AMTNR1BKDM4EPARP1HSD17B2
SCHEMBL6589199 0.77 HTT (0.47) KDM4EPOLBLMNARAB9AMEN1
SCHEMBL7621249 0.76 PTPN1 (0.50) KDM4ELMNAPTPN1MEN1KMT2A

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