SCHEMBL9868982

SCHEMBL9868982

CC1CCC(NC(=O)C(=O)NN)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
RAB9A P51151 8/20 0.46
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 3/20 0.39
ADRA2A P08913 1/20 0.39
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL4427177 0.89 SMN1; SMN2 (0.56) EPHX1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9867091 0.80 SMN1; SMN2 (0.73) EPHX1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9867405 0.80 SMN1; SMN2 (0.65) EPHX1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9866491 0.78 SMN1; SMN2 (0.77) EPHX1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9866968 0.77 SMN1; SMN2 (0.45) EPHX1RAB9ANPC1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL28051161 0.77 SMN1; SMN2 (0.74) EPHX1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6857874 0.76 SMN1; SMN2 (0.72) EPHX1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3623543 0.76 EPHX1 (0.57) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL28310343 0.76 EPHX1 (0.57) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL21138400 0.75 EPHX1 (0.52) EPHX1RAB9ANPC1SMN1; SMN2MAPT

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-5051517-A Reacting a chloroformidine hydrochloride with an oxamohydrazide, forming bonds between carbon and nitrogen and cyclization BAYER AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed