SCHEMBL7975648

SCHEMBL7975648

COc1c(C(=O)c2cccc([N+](=O)[O-])c2NC(=O)C(F)(F)F)ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)c1N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
CBX7 O95931 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
STAT3 P40763 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7966842 0.84 AVPR2 (0.38) ALDH1A1AVPR2AVPR1A
SCHEMBL7478475 0.83 CBX7 (0.38) ALDH1A1KDM4EAVPR2AVPR1AMEN1
SCHEMBL7340721 0.82 AVPR2 (0.39) ALDH1A1KDM4EAVPR2AVPR1AMEN1
SCHEMBL7781332 0.81 KMT2A (0.39) ALDH1A1KDM4EAVPR2AVPR1AMEN1
SCHEMBL7343013 0.81 PKM (0.38) ALDH1A1KDM4EAVPR2AVPR1AMEN1
SCHEMBL7476401 0.80 MEN1 (0.35) ALDH1A1KDM4EAVPR2AVPR1AMEN1
SCHEMBL7419827 0.79 DRD2 (0.36) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL7473879 0.78 AVPR2 (0.34) ALDH1A1KDM4EAVPR2AVPR1AMEN1
SCHEMBL7778599 0.78 SIGMAR1 (0.37) ALDH1A1AVPR2AVPR1AMEN1KMT2A
SCHEMBL7486482 0.77 RAB9A (0.35) ALDH1A1KDM4EAVPR2AVPR1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed