SCHEMBL10394271

SCHEMBL10394271

COC=C(C(=O)OC)N(C)c1nc(-c2ccc(Cl)cc2)c(C)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.45
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
PKM P14618 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALOX5 P09917 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
PTPN1 P18031 1/20 0.35
CDC25B P30305 1/20 0.35
DUSP3 P51452 1/20 0.35
MAPT P10636 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
APEX1 P27695 1/20 0.34

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
SCHEMBL10394270 1.00 DHODH (0.45) DHODHALDH1A1SMN1; SMN2PKML3MBTL1
SCHEMBL9759151 0.80 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2PKML3MBTL1KDM4E
SCHEMBL9550214 0.79 NPC1 (0.62) L3MBTL1NPC1RAB9AMAPT
SCHEMBL9193731 0.79 NPC1 (0.62) L3MBTL1NPC1RAB9AMAPT
SCHEMBL9550244 0.78 SMN1; SMN2 (0.38) DHODHALDH1A1SMN1; SMN2PKML3MBTL1
SCHEMBL9196621 0.78 SMN1; SMN2 (0.38) DHODHALDH1A1SMN1; SMN2PKML3MBTL1
SCHEMBL9586849 0.76 ALDH1A1 (0.49) DHODHALDH1A1SMN1; SMN2KDM4EALOX5
SCHEMBL9364842 0.76 ALDH1A1 (0.49) DHODHALDH1A1SMN1; SMN2KDM4EALOX5
SCHEMBL9191559 0.73 ALOX15 (0.34) DHODHALDH1A1L3MBTL1KDM4EPTGDR2
SCHEMBL9163369 0.73 CNR1 (0.45) SMN1; SMN2L3MBTL1NPC1RAB9AMAPT

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-4968709-A AGRICULTURE BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US claimed