SCHEMBL8129165

SCHEMBL8129165

Nc1cc(NC(=O)OCc2ccccc2)ncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MAP4K1 Q92918 1/20 0.49
MGLL Q99685 1/20 0.49
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
PTGER1 P34995 1/20 0.45
FSHR P23945 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
SCHEMBL4324332 0.89 POLB (0.55) POLBMGLLTP53MAPTNPC1
SCHEMBL21161286 0.82 SMN1; SMN2 (0.49) POLBMAP4K1MGLLTP53MAPT
SCHEMBL19194841 0.78 MAP4K1 (0.49) POLBMAP4K1MGLLTP53MAPT
SCHEMBL30147388 0.78 POLB (0.54) POLBMGLLTP53MAPTNPC1
SCHEMBL24414101 0.76 TDP1 (0.50) POLBMAPTRAB9ATSHRALDH1A1
SCHEMBL10173263 0.76 POLB (0.62) POLBMGLLTP53MAPTNPC1
SCHEMBL4326284 0.76 POLB (0.62) POLBMGLLTP53MAPTNPC1
SCHEMBL20519085 0.76 MAP4K1 (0.65) POLBMAP4K1MGLLTP53MAPT
SCHEMBL30107453 0.76 MAP4K1 (0.65) POLBMAP4K1MGLLTP53MAPT
SCHEMBL28691645 0.76 POLB (0.55) POLBMAP4K1MGLLTP53MAPT

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
EP-0641781-B1 4-AMINO(ALKYL)CYCLOHEXANE-1-CARBOXAMIDE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL (JP) 2000-07-26 EP disclosed
US-5478838-A Treating hypertension, angina pectoris, asthma, improving peripheral circulation YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-12-26 US disclosed
EP-0641781-A1 4-AMINO(ALKYL)CYCLOHEXANE-1-CARBOXAMIDE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-08 EP disclosed