SCHEMBL27745010

SCHEMBL27745010

CC(C)(CN)NC(=O)c1ccc(I)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
TRPV1 Q8NER1 3/20 0.41
TPMT P51580 1/20 0.39
AOC3 Q16853 2/20 0.39
HTT P42858 2/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HDAC1 Q13547 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL8920815 0.80 LMNA (0.50) POLBTRPV1TPMTHTTCA1
SCHEMBL27794162 0.79 CA2 (0.60) MAOBCA1CA2
SCHEMBL4298025 0.78 PLK1 (0.59) POLBAOC3MAOBNPC1RAB9A
SCHEMBL27754575 0.73 CYP2D6 (0.45) POLBHTTNPC1RAB9AATM
SCHEMBL1363640 0.73 MPO (0.64) TRPV1TPMTCA1CA2LMNA
SCHEMBL27745007 0.72 CYP1A2 (0.44) TRPV1NPC1RAB9ALMNA
SCHEMBL16346440 0.71 TRPV1 (0.41) POLBTRPV1TPMTNPC1RAB9A
SCHEMBL14724481 0.71 MAPK1 (0.41) NPC1RAB9ALMNA
SCHEMBL16346499 0.71 TRPV1 (0.38) POLBTRPV1TPMTHTTNPC1
SCHEMBL10896464 0.71 HDAC1 (0.54) NPC1RAB9AHDAC1LMNA

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
CN-101472916-A Chemical compounds ASTRAZENECA AB (SE) 2009-07-01 CN disclosed