SCHEMBL27439714

SCHEMBL27439714

CC(=O)c1ccc(NC(=O)NCCN)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
NPC1 O15118 6/20 0.57
RAB9A P51151 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
TAAR1 Q96RJ0 1/20 0.57
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HTT P42858 1/20 0.56
NLRP1 Q9C000 1/20 0.56
CA2 P00918 3/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA9 Q16790 2/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
MCL1 Q07820 1/20 0.54
NOX1 Q9Y5S8 1/20 0.54
CNR1 P21554 1/20 0.51
HDAC1 Q13547 2/20 0.50

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
SCHEMBL12808474 0.86 CNR1 (0.58) MAPTNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL359405 0.84 MAPT (0.59) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27440837 0.83 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL27537456 0.83 CHEK1 (0.52) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12995581 0.83 CNR1 (0.50) MAPTNPC1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL321164 0.83 MAPT (0.58) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27480007 0.83 MAPT (0.68) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5974338 0.82 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL29952991 0.82 MAPT (0.60) MAPTNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL321590 0.81 MAOA (0.53) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1098070-C Guanylhydrazones for treating inflammatory conditions PICOWER INST MED RES (US) 2003-01-08 CN disclosed
CN-1144480-A Guanylhydrazones for treating inflammatory conditions PICOWER INST MED RES (US) 1997-03-05 CN disclosed