SCHEMBL9044173

SCHEMBL9044173

CCCc1ccc(N(CC)c2nc(C)cc(N3CCSCC3)n2)c(I)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.46
NAPEPLD Q6IQ20 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL9045095 0.88 CRHR1 (0.59) CRHR1NAPEPLDMEN1ALDH1A1CYP1A2
SCHEMBL7678394 0.84 CRHR1 (0.63) CRHR1
SCHEMBL9047722 0.82 CRHR1 (0.50) CRHR1
SCHEMBL8047865 0.79 CRHR1 (0.55) CRHR1NAPEPLDMEN1ALDH1A1CYP1A2
SCHEMBL9048414 0.78 CRHR1 (0.48) CRHR1NAPEPLDMEN1ALDH1A1CYP1A2
SCHEMBL9049227 0.77 CRHR1 (0.42) CRHR1
SCHEMBL7678178 0.77 CRHR1 (0.57) CRHR1MEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL9046910 0.76 CRHR1 (0.72) CRHR1MEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL7687345 0.75 CRHR1 (0.63) CRHR1MEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL9047393 0.74 CRHR1 (0.55) CRHR1

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-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP disclosed