SCHEMBL13626446

SCHEMBL13626446

Cc1ccccc1NC(=O)c1ccc(CN2CCN(C)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.71
HTT P42858 2/20 0.71
LMNA P02545 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
HDAC1 Q13547 2/20 0.64
HDAC6 Q9UBN7 1/20 0.64
ALDH1A1 P00352 2/20 0.61
TSHR P16473 1/20 0.61
BTK Q06187 1/20 0.61
KMT2A Q03164 2/20 0.57
RECQL P46063 1/20 0.57
MEN1 O00255 1/20 0.57
RAB9A P51151 2/20 0.57
SUCNR1 Q9BXA5 1/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
MAPK14 Q16539 1/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.55
HDAC4 P56524 1/20 0.54

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
SCHEMBL13626627 0.90 SMN1; SMN2 (0.71) SMN1; SMN2HTTLMNAL3MBTL1HDAC1
SCHEMBL13626450 0.89 SMN1; SMN2 (0.70) SMN1; SMN2HTTLMNAL3MBTL1HDAC1
SCHEMBL13626616 0.86 RAB9A (0.75) SMN1; SMN2HTTLMNAL3MBTL1HDAC1
SCHEMBL30530313 0.85 HDAC1 (0.62) SMN1; SMN2HTTLMNAL3MBTL1HDAC1
SCHEMBL15165561 0.84 HDAC1 (0.61) SMN1; SMN2HTTLMNAL3MBTL1HDAC1
SCHEMBL12666635 0.84 CYP2C9 (0.61) SMN1; SMN2HTTLMNAL3MBTL1HDAC1
SCHEMBL24398080 0.82 SMN1; SMN2 (1.00) SMN1; SMN2HTTLMNAL3MBTL1HDAC1
SCHEMBL27964239 0.81 HDAC6 (0.55) SMN1; SMN2HTTLMNAL3MBTL1HDAC1
SCHEMBL28300862 0.81 BTK (0.68) SMN1; SMN2LMNAL3MBTL1HDAC1HDAC6
SCHEMBL13747820 0.80 SMN1; SMN2 (0.67) SMN1; SMN2LMNAHDAC6ALDH1A1TSHR

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
WO-2009138440-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-19 WO disclosed