SCHEMBL6970387

SCHEMBL6970387

COc1ccc2c(c1)NC(=O)CCN2C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.52
BRD2 P25440 1/20 0.48
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 2/20 0.44
HSP90AA1 P07900 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
PAX8 Q06710 1/20 0.44
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 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
SCHEMBL6971003 0.86 BRD4 (0.45) BRD4MAPTSMN1; SMN2LMNARAB9A
SCHEMBL6971115 0.84 BRD4 (0.45) BRD4SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL6971266 0.83 L3MBTL1 (0.44) BRD4MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL6964190 0.82 BRD4 (0.60) BRD4SMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL6971185 0.80 L3MBTL1 (0.46) BRD4MAPTSMN1; SMN2LMNARAB9A
SCHEMBL7344427 0.79 CA1 (0.54) MAPTSMN1; SMN2LMNACA1CA2
SCHEMBL7344362 0.79 CA1 (0.71) MAPTSMN1; SMN2LMNACA1CA2
SCHEMBL7353072 0.77 TSHR (0.61) MAPTSMN1; SMN2LMNACA1CA2
SCHEMBL6966939 0.77 TUBB4A (0.46) BRD4MAPTLMNAALDH1A1MAPK1
SCHEMBL6955057 0.74 BRD4 (0.57) BRD4MAPTLMNAALDH1A1MAPK1

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 3 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