SCHEMBL7423456

SCHEMBL7423456

COc1cc(C(=O)N(C)c2ccccc2N2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
MAPT P10636 7/20 0.52
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.49
KMT2A Q03164 6/20 0.47
HPGD P15428 4/20 0.47
SLC6A5 Q9Y345 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 3/20 0.46
HTT P42858 1/20 0.46
PAX8 Q06710 1/20 0.46
ALOX12 P18054 1/20 0.46
MEN1 O00255 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
S1PR1 P21453 1/20 0.45

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
SCHEMBL7967067 0.90 ALDH1A1 (0.55) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL7422011 0.89 SIRT6 (0.54) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL7422014 0.84 SMN1; SMN2 (0.47) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL7426078 0.83 KDM4E (0.48) ALDH1A1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL7534271 0.82 ALDH1A1 (0.57) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL7424234 0.82 MAPT (0.47) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL7371553 0.80 ALDH1A1 (0.46) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL7423165 0.80 ALDH1A1 (0.85) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL7371278 0.79 ALDH1A1 (0.44) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL7417316 0.79 ALDH1A1 (0.51) ALDH1A1MAPTLMNASMN1; SMN2KDM4E

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
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed