SCHEMBL8444435

SCHEMBL8444435

Cc1oc2ccccc2c1-c1cccc(C(=O)N=C(N)NOS(C)(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.39
CYP2C19 P33261 3/20 0.37
SLC9A1 P19634 4/20 0.36
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK10 P53779 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA2 P00918 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
CREBBP Q92793 1/20 0.33
TERT O14746 1/20 0.33

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
SCHEMBL8443921 0.89 HTR2B (0.39) HTR2BSLC9A1PTPN1MEN1KMT2A
SCHEMBL8444342 0.87 HTR2B (0.37) HTR2BCYP2C19SLC9A1PTPN1MEN1
SCHEMBL8802443 0.83 HTR2B (0.56) HTR2BCYP2C19SLC9A1
SCHEMBL8441028 0.78 SLC9A1 (0.38) HTR2BSLC9A1
SCHEMBL8444457 0.78 DHODH (0.40) SLC9A1CA2
SCHEMBL8440952 0.78 SLC9A1 (0.42) SLC9A1
SCHEMBL8444497 0.77 SLC9A1 (0.38) HTR2BSLC9A1CA2
SCHEMBL7822730 0.76 SLC9A1 (0.46) SLC9A1MEN1KMT2ACA2
SCHEMBL8444433 0.76 CYP2C19 (0.40) CYP2C19SLC9A1PTPN1PTPN6MEN1
SCHEMBL8443930 0.76 SLC9A1 (0.40) SLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed