SCHEMBL6777152

SCHEMBL6777152

CSc1cccc(NC(=O)NCCn2c(C)nc3c(N)nc(C)c(C)c32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR3 P51677 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
NTRK1 P04629 2/20 0.40
NTRK2 Q16620 2/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL6778012 0.95 CCR3 (0.45) MAPTMEN1KMT2ATP53POLB
SCHEMBL6773506 0.87 NPC1 (0.47) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL6776784 0.86 ALDH1A1 (0.48) MEN1KMT2APOLBSMN1; SMN2HSD17B10
SCHEMBL6782875 0.85 MAPT (0.47) MAPTMEN1KMT2ATP53MAPK1
SCHEMBL6777400 0.85 CCR3 (0.45) MAPTMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL6773021 0.83 CCR3 (0.41) MAPTMEN1KMT2ATP53POLB
SCHEMBL6783335 0.82 CCR3 (0.46) MAPTKMT2APOLBSMN1; SMN2KDM4E
SCHEMBL6772950 0.81 FAAH (0.53) MAPTPOLBSMN1; SMN2HSD17B10KDM4E
SCHEMBL6783081 0.81 MAPT (0.42) MAPTMEN1KMT2ATP53POLB
SCHEMBL6778719 0.80 KMT2A (0.48) MAPTKMT2AHSD17B10CCR3ALDH1A1

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