SCHEMBL9747604

SCHEMBL9747604

CCCCN(CC)c1nc(C)cc(O)n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.49
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
AGTR1 P30556 1/20 0.37
MAPK8 P45983 1/20 0.37
AGTR2 P50052 1/20 0.37

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
SCHEMBL8156919 0.93 LMNA (0.49) CRHR1LMNAMEN1KMT2AAGTR1
SCHEMBL8431388 0.86 TDP1 (0.46) CRHR1LMNAMEN1KMT2ATDP1
SCHEMBL29427538 0.84 TDP1 (0.45) CRHR1LMNAMEN1KMT2ATDP1
SCHEMBL28720085 0.84 TDP1 (0.45) CRHR1LMNAMEN1KMT2ATDP1
SCHEMBL12871103 0.77 TDP1 (0.44) CRHR1LMNATDP1
SCHEMBL11497850 0.74 ALOX15 (0.44) CRHR1LMNAMEN1KMT2ATDP1
SCHEMBL13034401 0.74 SLC29A1 (0.53) CRHR1LMNAMEN1KMT2ATDP1
SCHEMBL821901 0.73 CRHR1 (0.67) CRHR1TDP1
SCHEMBL12871102 0.72 TDP1 (0.53) CRHR1LMNATDP1
SCHEMBL20147892 0.72 MAP3K12 (0.43) CRHR1LMNAMEN1KMT2AAGTR1

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
EP-0192342-B1 TREATMENT OF SEEDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-19 EP disclosed