SCHEMBL7702072

SCHEMBL7702072

CS(=O)(=O)c1cccc2c1OCCC(C(=O)NC(=N)N)=C2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
PARP1 P09874 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 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
HTR6 P50406 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
Hydrochloric Acid SCHEMBL6135631 0.99 KMT2A (0.33) KMT2APARP1NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL6134776 0.99 KMT2A (0.33) KMT2APARP1NPC1RAB9AMEN1
SCHEMBL7700709 0.99 KMT2A (0.33) KMT2APARP1NPC1RAB9AMEN1
SCHEMBL7701255 0.91 KMT2A (0.32) KMT2APARP1NPC1RAB9AMEN1
SCHEMBL7696976 0.89 CYP1A2 (0.32) KMT2APARP1
SCHEMBL7700272 0.89 TP53 (0.32) KMT2APARP1MEN1TP53HTT
SCHEMBL7385891 0.87 MAPT (0.33) KMT2APARP1NPC1RAB9AMEN1
SCHEMBL7697131 0.86 PARP1 (0.46) KMT2APARP1NPC1RAB9ATP53
SCHEMBL7703806 0.85 POLB (0.40) KMT2ANPC1RAB9AMEN1TP53
SCHEMBL7700738 0.85 PARP1 (0.37) KMT2APARP1NPC1RAB9AMEN1

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 5 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 claimed
EP-1073650-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-07 EP claimed
WO-1999055690-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-04 WO claimed
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