SCHEMBL7967008

SCHEMBL7967008

COc1cc(C(=O)N(C)c2ccccc2C2=NC(C)(C)CO2)ccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.36
GPBAR1 Q8TDU6 3/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 1/20 0.36
ACLY P53396 1/20 0.36
CHEK1 O14757 2/20 0.35
PIM1 P11309 1/20 0.35
MAPK8 P45983 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
LPAR1 Q92633 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RXRA P19793 1/20 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
SCHEMBL7423430 0.93 PIK3CA (0.36) PIK3CAGPBAR1CHEK1KDM4EALDH1A1
SCHEMBL7954388 0.84 LMNA (0.40) PIK3CAGPBAR1LMNARAB9ACHEK1
SCHEMBL7421586 0.83 TUBB4A (0.42) PIK3CAGPBAR1LMNARAB9AACLY
SCHEMBL7969332 0.82 PIK3CA (0.37) PIK3CAGPBAR1RAB9AACLYLPAR1
SCHEMBL7594101 0.81 BRD4 (0.40) LMNARAB9AMAPT
SCHEMBL7485636 0.81 PIK3CA (0.35) PIK3CAGPBAR1RAB9ACHEK1KDM4E
Hydrochloric Acid SCHEMBL7969803 0.80 BRD4 (0.40) LMNARAB9AMAPT
SCHEMBL7534090 0.77 RXFP1 (0.33) LMNARAB9AKDM4EALDH1A1MAPT
SCHEMBL7963323 0.77 DHODH (0.37) ALDH1A1MAPT
SCHEMBL7965790 0.77 KCNMA1 (0.41) RAB9AKDM4EALDH1A1MAPT

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