SCHEMBL6958604

SCHEMBL6958604

O=C(Nc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.76
NPC1 O15118 4/20 0.73
ALDH1A1 P00352 2/20 0.68
MAPT P10636 2/20 0.68
POLB P06746 3/20 0.61
HCAR3 P49019 1/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
MITF O75030 1/20 0.60
KCNMA1 Q12791 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA9 Q16790 1/20 0.58
ALPI P09923 1/20 0.58
KDR P35968 1/20 0.58
SNCA P37840 1/20 0.58

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
SCHEMBL641989 0.89 PHGDH (0.77) PHGDHNPC1ALDH1A1MAPTPOLB
SCHEMBL27864285 0.88 PHGDH (0.61) PHGDHNPC1ALDH1A1MAPTPOLB
SCHEMBL28851799 0.87 NPC1 (0.63) PHGDHNPC1ALDH1A1MAPTPOLB
SCHEMBL27847056 0.86 PHGDH (0.74) PHGDHNPC1ALDH1A1MAPTPOLB
SCHEMBL8337442 0.86 NPC1 (0.80) NPC1ALDH1A1MAPTPOLBRAB9A
SCHEMBL23673663 0.84 NPC1 (0.73) NPC1ALDH1A1MAPTPOLBRAB9A
SCHEMBL28734353 0.84 NPC1 (1.00) NPC1ALDH1A1MAPTPOLBRAB9A
SCHEMBL11189491 0.84 HCAR3 (0.65) PHGDHNPC1ALDH1A1MAPTPOLB
SCHEMBL10376329 0.84 PHGDH (0.70) PHGDHNPC1ALDH1A1MAPTPOLB
SCHEMBL6169544 0.84 NPC1 (0.78) PHGDHNPC1ALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
US-4933368-A FOR ADMINISTERING TO REAT REFRACTORY TUMORS IN MAMMALS GODECKE AKTIENGESELLSCHAFT (DE) 1990-06-12 US disclosed
EP-0116967-B1 N-PHENYL-BENZAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM GÖDECKE AKTIENGESELLSCHAFT (DE) 1986-01-29 EP disclosed
EP-0116967-A1 N-phenyl-benzamide derivatives, process for their preparation and medicines containing them GÖDECKE AKTIENGESELLSCHAFT (DE) 1984-08-29 EP disclosed