SCHEMBL7701178

SCHEMBL7701178

N=C(N)NC(=O)C1=Cc2cccc(C(=O)O)c2OCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.41
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7700738 0.94 PARP1 (0.37) PARP1KMT2ATP53FABP4NPC1
SCHEMBL7702982 0.93 PARP1 (0.43) PARP1KMT2ATP53NPC1RAB9A
Hydrochloric Acid SCHEMBL7697554 0.92 PARP1 (0.42) PARP1KMT2ATP53NPC1RAB9A
SCHEMBL7697131 0.86 PARP1 (0.46) PARP1KMT2ATP53NPC1RAB9A
SCHEMBL7694851 0.85 PARP1 (0.36) PARP1KMT2ATP53NPC1RAB9A
Hydrochloric Acid SCHEMBL7700818 0.84 PARP1 (0.36) PARP1KMT2ATP53NPC1RAB9A
SCHEMBL7383364 0.84 NOTUM (0.37) PARP1KMT2ATP53FABP4NPC1
SCHEMBL7701091 0.84 CA9 (0.36) PARP1KMT2ATP53NPC1RAB9A
Hydrochloric Acid SCHEMBL7702260 0.84 PARP1 (0.36) PARP1KMT2ATP53NPC1HTT
SCHEMBL7701049 0.83 PARP1 (0.35) PARP1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6346527-B1 1-BENZOXEPIN DERIVATIVES USED IN THE PREVENTION OF SODIUM AND HYDROGEN ION EXCHANGE; CARDIOVASCULAR, KIDNEY AND BRAIN DISORDER TREATMENT; ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-12 US disclosed
EP-1073650-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-07 EP disclosed
WO-1999055690-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-04 WO disclosed