SCHEMBL6828232

SCHEMBL6828232

Cc1cc(C)nc(N=C(N)NCCc2ccc(-c3cccc(CN(C)C)c3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ CRHBP P24387 3/20 0.47
▸ CRHR2 Q13324 3/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ RAB9A P51151 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ ATP4A P20648 2/20 0.43
▸ ATP4B P51164 2/20 0.43
▸ POLB P06746 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ NR4A1 P22736 1/20 0.40
▸ NMT1 P30419 3/20 0.40
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ RAD52 P43351 1/20 0.39

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
SCHEMBL6828231 0.78 NMT1 (0.40) ALDH1A1ATP4AATP4BNMT1LMNA
SCHEMBL6829068 0.70 RAB9A (0.49) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL6925018 0.70 MEN1 (0.50) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL19497012 0.67 TAAR1 (0.53) NMT1NOS1TAAR1
SCHEMBL2486885 0.66 TAAR1 (0.58) ALDH1A1NOS1TAAR1
SCHEMBL6510821 0.66 CRHBP (0.80) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL10501638 0.66 MAPK1 (0.58) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL6513368 0.65 CRHBP (1.00) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL14100109 0.65 TAAR1 (0.56) ALDH1A1ATP4AATP4BNOS1TAAR1
SCHEMBL3464184 0.64 TAAR1 (0.67) ALDH1A1NMT1NOS1TAAR1

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-2004037166-A2 THERAPEUTIC GUANIDINES ISIS PHARMACEUTICALS, INC. (US) 2004-05-06 — — WO disclosed
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