SCHEMBL7534660

SCHEMBL7534660

COc1cc(C(=O)N(C)c2ccccc2-c2ncco2)ccc1C(=O)Nc1cccc2c1nc(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 3/20 0.35
THRB P10828 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
LMNA P02545 3/20 0.34
TP53 P04637 3/20 0.34
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34
TUBA3E Q6PEY2 2/20 0.34
TUBA1A Q71U36 2/20 0.34
TUBA1C Q9BQE3 2/20 0.34

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
SCHEMBL7594125 0.82 TUBB4A (0.40) MEN1KMT2ARAB9AMAPTTHRB
SCHEMBL7969233 0.82 KMT2A (0.42) MEN1KMT2ARAB9AMAPTTP53
Hydrochloric Acid SCHEMBL7590615 0.81 TUBB4A (0.40) MEN1KMT2ARAB9AMAPTTHRB
SCHEMBL7534090 0.76 RXFP1 (0.33) MEN1KMT2ARAB9AMAPTIRAK4
SCHEMBL7420400 0.76 CFTR (0.41) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7970624 0.75 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7598283 0.75 IRAK4 (0.38) MEN1KMT2ARAB9AMAPTIRAK4
SCHEMBL7538522 0.74 BRPF1 (0.42) MEN1KMT2AMAPTLMNAHTT
SCHEMBL7020351 0.71 NR1H2 (0.38) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL7019122 0.71 MAPT (0.39) MEN1KMT2ARAB9AMAPTLMNA

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 4 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
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