SCHEMBL7476546

SCHEMBL7476546

COc1c(C(=O)c2cccc3c2c(CO)cn3C(=O)OC(C)(C)C)ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)c1N

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CBX7 O95931 1/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7476543 0.93
SCHEMBL7475353 0.86 MEN1 (0.35) MEN1KMT2AUSP2TP53MAPT
SCHEMBL7966310 0.84 AVPR2 (0.37) MEN1KMT2AUSP2TP53MAPT
SCHEMBL7474246 0.83 AVPR2 (0.33) MEN1KMT2AUSP2TP53MAPT
SCHEMBL7478475 0.83 CBX7 (0.38) MEN1KMT2AUSP2TP53MAPT
SCHEMBL7962078 0.82 RAB9A (0.35) MEN1KMT2AUSP2TP53MAPT
SCHEMBL7478404 0.81 KMT2A (0.34) MEN1KMT2AUSP2TP53MAPT
Hydrochloric Acid SCHEMBL7482468 0.81 RAB9A (0.35) MEN1KMT2AUSP2TP53MAPT
SCHEMBL7781332 0.81 KMT2A (0.39) MEN1KMT2AUSP2TP53MAPT
SCHEMBL7479773 0.81 AVPR2 (0.32) MEN1KMT2AUSP2TP53MAPT

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