SCHEMBL7478404

SCHEMBL7478404

COc1c(C(=O)c2cccc3c2cc(CN2C(=O)c4ccccc4C2=O)n3C(=O)OC(C)(C)C)ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)c1N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MEN1 O00255 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 0.34
SMN1; SMN2 Q16637 1/20 0.34
TACR1 P25103 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
SGMS1 Q86VZ5 1/20 0.30
SGMS2 Q8NHU3 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
SCHEMBL7478403 0.93
SCHEMBL7475353 0.90 MEN1 (0.35) KMT2AMEN1USP2TP53MAPT
SCHEMBL7962351 0.84 AVPR2 (0.37) KMT2AMEN1USP2TP53MAPT
SCHEMBL7476546 0.81 MEN1 (0.34) KMT2AMEN1USP2TP53MAPT
SCHEMBL7340129 0.81 KMT2A (0.36) KMT2AMEN1USP2TP53MAPT
SCHEMBL7340123 0.81 KMT2A (0.36) KMT2AMEN1USP2TP53MAPT
SCHEMBL7962078 0.80 RAB9A (0.35) KMT2AMEN1USP2TP53MAPT
SCHEMBL7478475 0.80 CBX7 (0.38) KMT2AMEN1USP2TP53MAPT
Hydrochloric Acid SCHEMBL7482468 0.80 RAB9A (0.35) KMT2AMEN1USP2TP53MAPT
SCHEMBL7474246 0.79 AVPR2 (0.33) KMT2AMEN1USP2TP53MAPT

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