SCHEMBL9656197

SCHEMBL9656197

Cc1ccc(N/N=N\CCSSCC2CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.33
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9656203 1.00 METAP2 (0.33) METAP2NPC1ALDH1A1MAPTHPGD
SCHEMBL9655165 0.78 SCN5A (0.34) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL9655167 0.78 SCN5A (0.34) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL9655498 0.73 HTT (0.38) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL9655492 0.73 HTT (0.38) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL9654567 0.72 TP53 (0.44) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL9654577 0.72 TP53 (0.44) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL10840042 0.70 MAPT (0.40) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL1278627 0.70 MAPT (0.40) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL1278625 0.70 MAPT (0.40) NPC1ALDH1A1MAPTHPGDRAB9A

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-5099016-A Mitomycin analogs containing 7-alkoxy groups and disulfides as antibiotics BRISTOL-MYERS COMPANY (US) 1992-03-24 US disclosed
US-5097036-A Mitomycin analogs; antibiotics antitumor agents BRISTOL-MYERS COMPANY (US) 1992-03-17 US disclosed
US-4927943-A ANTITUMOR AGENTS BRISTOL-MYERS COMPANY (US) 1990-05-22 US disclosed