SCHEMBL7969233

SCHEMBL7969233

COc1cc(C(=O)N(C)c2ccccc2N2CCN(C)CC2)ccc1C(=O)Nc1cccc2c1nc(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MAPK1 P28482 4/20 0.42
USP2 O75604 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRPF1 P55201 6/20 0.41
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 4/20 0.37
NR1H2 P55055 1/20 0.36
BACE1 P56817 2/20 0.36

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
SCHEMBL7594888 0.83 KMT2A (0.45) KMT2AMAPK1USP2SMN1; SMN2MEN1
SCHEMBL7021331 0.83 AVPR2 (0.41) KMT2AMAPK1USP2SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7965581 0.82 KMT2A (0.44) KMT2AMAPK1USP2SMN1; SMN2MEN1
SCHEMBL7538522 0.82 BRPF1 (0.42) KMT2AMAPK1SMN1; SMN2MEN1L3MBTL1
SCHEMBL7534660 0.82 MEN1 (0.35) KMT2AMEN1BRPF1MAPTTP53
SCHEMBL7014299 0.79 PDE4A (0.48) SMN1; SMN2TSHR
SCHEMBL7598283 0.79 IRAK4 (0.38) KMT2AMEN1L3MBTL1BRPF1MAPT
SCHEMBL7023856 0.78 AVPR1A (0.38) USP2SMN1; SMN2MAPTNPC1TP53
SCHEMBL7015520 0.78 PRMT5 (0.39) SMN1; SMN2BRPF1MAPTALDH1A1KDM4E
SCHEMBL7025753 0.78 AVPR2 (0.39) KMT2AMAPK1USP2SMN1; SMN2MEN1

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
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