SCHEMBL7534277

SCHEMBL7534277

COc1c(C(=O)c2cccc([N+](=O)[O-])c2N)ccc(C(=O)N(C)c2ccccc2N2CCOCC2)c1N

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 1/20 0.46
KDM4E B2RXH2 1/20 0.42
MAPT P10636 5/20 0.41
SLC6A5 Q9Y345 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.38
SLC6A9 P48067 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
PAX8 Q06710 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7423129 0.92 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL7417314 0.87 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL7419827 0.79 DRD2 (0.36) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL7534271 0.78 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL7423456 0.73 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL3722707 0.71 CTSB (0.53) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL7423123 0.70 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL7975847 0.69 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ACYP1A2MAPT
SCHEMBL7422014 0.67 SMN1; SMN2 (0.47) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7426078 0.66 KDM4E (0.48) ALDH1A1MEN1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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