SCHEMBL7428252

SCHEMBL7428252

O=C(OCc1cccnc1)c1cccc(NC(=O)C(CS)Cc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
ECE1 P42892 1/20 0.45
GPR132 Q9UNW8 3/20 0.45
CMKLR2 P46091 1/20 0.45
CMKLR1 Q99788 1/20 0.45
ROCK2 O75116 2/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL7434975 0.90 RAB9A (0.63) RAB9ALMNAKMT2ATDP1ECE1
Hydrochloric Acid SCHEMBL7433987 0.86 RAB9A (0.52) RAB9ALMNAKMT2ATDP1GPR132
SCHEMBL7431259 0.85 FOLH1 (0.52) RAB9AECE1ALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL7430564 0.84 RAB9A (0.56) RAB9AROCK2ALDH1A1HTT
Hydrochloric Acid SCHEMBL7432001 0.84 FOLH1 (0.51) RAB9AECE1ALDH1A1MAPTHTT
SCHEMBL7440850 0.83 MAPT (0.60) RAB9AKMT2AMEN1ALDH1A1MAPT
SCHEMBL7429686 0.83 RAB9A (0.55) RAB9ALMNAKMT2ATDP1ROCK2
SCHEMBL7433322 0.81 ALDH1A1 (0.58) RAB9ALMNAKMT2AMEN1ALDH1A1
SCHEMBL7428258 0.81 RAB9A (0.53) RAB9ALMNAKMT2ATDP1GPR132
SCHEMBL9724784 0.81 PKM (0.62) RAB9AKMT2AECE1MEN1ALDH1A1

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-5210266-A Analgesic enkephalinase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
US-5179125-A Analgesics DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-01-12 US disclosed
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed