SCHEMBL7992648

SCHEMBL7992648

NC(=S)c1ccc(Cc2ccccc2)cc1.NC(=S)c1cccc(Cc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.62
PRSS2 P07478 1/20 0.62
PRSS3 P35030 1/20 0.62
PLA2G2A P14555 3/20 0.53
PLA2G10 O15496 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
IDH1 O75874 1/20 0.46
LMNA P02545 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
SLC22A2 O15244 1/20 0.43
ASH1L Q9NR48 4/20 0.42
CALM1 P0DP23 1/20 0.41
HNF4A P41235 1/20 0.40
F10 P00742 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL7896302 0.95 PRSS1 (0.68) PRSS1PRSS2PRSS3PLA2G2APLA2G10
SCHEMBL7897904 0.89 PLA2G10 (0.64) PRSS1PRSS2PRSS3PLA2G2APLA2G10
SCHEMBL7898203 0.80 MAOA (0.52) PRSS1PRSS2PRSS3SMN1; SMN2F10
SCHEMBL8665442 0.80 PRSS1 (0.61) PRSS1PRSS2PRSS3PLA2G2APLA2G10
SCHEMBL7900704 0.77 SMN1; SMN2 (0.57) PLA2G2APLA2G10SMN1; SMN2LMNALOXL2
SCHEMBL7900761 0.77 IGF1R (0.49) PRSS1PRSS2PRSS3LMNAF10
SCHEMBL4224616 0.77 PLA2G2A (0.69) PRSS1PRSS2PRSS3PLA2G2APLA2G10
SCHEMBL7889322 0.76 IGF1R (0.47) PRSS1PRSS2PRSS3LMNA
SCHEMBL7900726 0.76 IGF1R (0.47) PRSS1PRSS2PRSS3LMNA
SCHEMBL7895911 0.75 LMNA (0.55) PRSS1PRSS2PRSS3PLA2G2APLA2G10

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-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed