SCHEMBL7963293

SCHEMBL7963293

COC(=O)c1ccc(C(=O)Nc2ccccc2C2=NCCCO2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.49
PDE5A O76074 1/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CHEK1 O14757 1/20 0.45
PIM1 P11309 1/20 0.45
MAPK8 P45983 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
LMNA P02545 3/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SIRT1 Q96EB6 1/20 0.44

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
SCHEMBL7422462 0.94 KDM4E (0.51) NPC1RAB9ATDP1KMT2AKDM4E
SCHEMBL7426377 0.82 PIK3CA (0.37) NPC1RAB9ATDP1KMT2AKDM4E
SCHEMBL7422787 0.81 NPC1 (0.48) NPC1RAB9ATDP1KMT2AKDM4E
SCHEMBL7488123 0.81 PDE5A (0.48) NPC1RAB9ATDP1KMT2AKDM4E
SCHEMBL7427546 0.75 TUBB4A (0.42) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL7420616 0.75 SIRT1 (0.55) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL7969332 0.74 PIK3CA (0.37) RAB9ATDP1KMT2AKDM4EALDH1A1
SCHEMBL7971993 0.74 TUBB4A (0.36) NPC1RAB9AKMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL7593178 0.73 TUBB4A (0.35) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL7430971 0.73 ALDH1A1 (0.68) NPC1KMT2AALDH1A1MAPTMEN1

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