SCHEMBL6772971

SCHEMBL6772971

CCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=O)Nc1cccc(SC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.39
MAPT P10636 5/20 0.39
NTRK1 P04629 2/20 0.39
NTRK2 Q16620 2/20 0.39
FAAH O00519 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX1 P07099 4/20 0.35
MCHR1 Q99705 1/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6782472 0.90 FAAH (0.47) MAPTFAAHKMT2AEPHX1LMNA
SCHEMBL6776138 0.89 NPC1 (0.41) CCR3MAPTNTRK1NTRK2FAAH
SCHEMBL6782943 0.87 CCR3 (0.43) CCR3MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6782960 0.85 CCR3 (0.39) CCR3MAPTNTRK1NTRK2FAAH
SCHEMBL6773021 0.85 CCR3 (0.41) CCR3MAPTNTRK1NTRK2MEN1
SCHEMBL6894553 0.83 HDAC3 (0.44) CCR3MAPTFAAHMEN1KMT2A
SCHEMBL6773388 0.83 TLR7 (0.37) MAPTKMT2AKDM4EATMTP53
SCHEMBL6096076 0.81 TLR7 (0.45) ATMSMN1; SMN2RAB9A
SCHEMBL6779797 0.80 BRD4 (0.36) MAPTEPHX1
SCHEMBL6773525 0.80 TLR7 (0.41)

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