SCHEMBL6971266

SCHEMBL6971266

Cc1cc2c(cc1C)N(C(=O)c1ccc([N+](=O)[O-])cc1)CCC(=O)N2

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
BRD4 O60885 2/20 0.43
CRBN Q96SW2 2/20 0.43
STING1 Q86WV6 1/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 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
SCHEMBL6971185 0.88 L3MBTL1 (0.46) L3MBTL1BRD4CRBNSTING1MAPT
SCHEMBL6971003 0.88 BRD4 (0.45) L3MBTL1BRD4CRBNSTING1MAPT
SCHEMBL6971115 0.83 BRD4 (0.45) L3MBTL1BRD4CRBNSTING1SMN1; SMN2
SCHEMBL6970387 0.83 BRD4 (0.52) BRD4MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL6964190 0.83 BRD4 (0.60) L3MBTL1BRD4CRBNSTING1SMN1; SMN2
SCHEMBL6970424 0.77 ALDH1A1 (0.48) L3MBTL1BRD4CRBNMAPTSMN1; SMN2
SCHEMBL6970210 0.75 BRD4 (0.59) L3MBTL1BRD4CRBNMAPTSMN1; SMN2
SCHEMBL6970905 0.75 ALDH1A1 (0.47) L3MBTL1BRD4CRBNMAPTSMN1; SMN2
SCHEMBL6969348 0.72 SMN1; SMN2 (0.45) L3MBTL1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL6966939 0.72 TUBB4A (0.46) BRD4CRBNMAPTLMNAALDH1A1

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