SCHEMBL6778285

SCHEMBL6778285

Cc1nc(N)c2nc(C)n(CCNC(=S)NC(=O)c3ccco3)c2c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
ALOX12 P18054 1/20 0.47
ALDH1A1 P00352 9/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
NPC1 O15118 4/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.42
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL6287410 0.95 ALDH1A1 (0.50) RAB9AALOX12ALDH1A1KMT2AMEN1
SCHEMBL6782569 0.86 SMN1; SMN2 (0.44) RAB9AALOX12ALDH1A1KMT2AMEN1
SCHEMBL6286172 0.82 ALDH1A1 (0.45) RAB9AALOX12ALDH1A1KMT2ANPC1
SCHEMBL6779590 0.77 MAPKAPK2 (0.43) RAB9AALOX12ALDH1A1KMT2AMEN1
SCHEMBL6773093 0.77 KMT2A (0.51) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL6774657 0.77 MAPT (0.49) RAB9AALDH1A1KMT2AMEN1NPC1
SCHEMBL6670803 0.76 TP53 (0.34) ALDH1A1LMNAGAAL3MBTL1THRB
SCHEMBL6778680 0.76 HPGD (0.43) RAB9AALDH1A1KMT2AMEN1MAPT
SCHEMBL6781809 0.76 POLB (0.42) RAB9AALDH1A1KMT2AMEN1NPC1
SCHEMBL6110335 0.75 KDM4E (0.39) ALDH1A1GAAHPGDCYP1A2CYP3A4

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
US-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed