SCHEMBL9680393

SCHEMBL9680393

CC(N)SC(=O)NCCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.54
TAS1R1 Q7RTX1 2/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 3/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 5/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 2/20 0.48
CNR1 P21554 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALOX15 P16050 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL10558453 0.82 HTT (0.62) TAS1R3TAS1R1MAPK1HTTATM
SCHEMBL255011 0.79 HRH3 (0.53) TAS1R3TAS1R1MAPK1HTTATM
SCHEMBL10311684 0.79 HTT (0.64) TAS1R3TAS1R1MAPK1HTTATM
SCHEMBL27263888 0.78 RAB9A (0.58) TAS1R3TAS1R1MAPK1HTTALDH1A1
SCHEMBL4575707 0.77 MAPK1 (0.65) TAS1R3TAS1R1MAPK1HTTALDH1A1
SCHEMBL29655342 0.77 MAPK1 (0.65) TAS1R3TAS1R1MAPK1HTTALDH1A1
SCHEMBL9680387 0.77 HRH1 (0.54) TAS1R3TAS1R1MAPK1HTTALDH1A1
SCHEMBL9680383 0.77 LMNA (0.50) TAS1R3TAS1R1MAPK1HTTATM
SCHEMBL10448601 0.76 HTT (0.56) TAS1R3TAS1R1MAPK1HTTATM
SCHEMBL48652 0.76 HRH3 (0.61) TAS1R3TAS1R1MAPK1HTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272063-B1 MITOMYCIN DERIVATIVES KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1992-04-08 EP disclosed
US-4863935-A Mitomycin compounds having useful anti-tumor activity KYOWA HAKKO KOGYO K.K. (JP) 1989-09-05 US disclosed