SCHEMBL7594101

SCHEMBL7594101

COc1cc(C(=O)N(C)c2ccccc2C2=NC(C)(C)CO2)ccc1C(=O)Nc1cccc2[nH]cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CASP3 P42574 1/20 0.36
F10 P00742 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 3/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
LMNA P02545 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
Hydrochloric Acid SCHEMBL7969803 0.99 BRD4 (0.40) BRD4HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL7593069 0.85 PTGES (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7423430 0.83 PIK3CA (0.36) KMT2AMAPT
SCHEMBL7963323 0.82 DHODH (0.37) HDAC8CASP3RXFP1IRAK4MAPT
SCHEMBL7534090 0.81 RXFP1 (0.33) BRD4F10RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL7594361 0.81 DHODH (0.36) BRD4HDAC8CASP3RAB9ARXFP1
SCHEMBL7967008 0.81 PIK3CA (0.36) RAB9ALMNAMAPT
SCHEMBL7593381 0.80 BRD4 (0.43) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL7599052 0.80 HTT (0.49) MEN1KMT2AIRAK4LMNAMAPT
Hydrochloric Acid SCHEMBL7598923 0.80 BRD4 (0.42) BRD4HDAC3HDAC4HDAC1HDAC7

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