SCHEMBL6780600

SCHEMBL6780600

Cc1nc(N)c2nc(C)n(CCCNC(=O)C3CCCCC3)c2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
THRB P10828 1/20 0.41
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 5/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL6773171 0.95 TSHR (0.38) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6777928 0.94 MEN1 (0.47) NAAAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL6774577 0.88 TSHR (0.44) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6773214 0.86 EPHX1 (0.44) KDM4EALDH1A1
SCHEMBL6778648 0.86 TP53 (0.38) NAAAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3865503 0.82 TLR7 (0.50) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6094589 0.82 DYRK1A (0.37) KDM4ETP53
SCHEMBL3864111 0.81 TLR7 (0.51) MEN1KMT2AHSD17B10CYP1A2CYP3A4
SCHEMBL13996157 0.81 MEN1 (0.41) NAAAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL6775573 0.80 TLR7 (0.39) KMT2AKDM4EALDH1A1CYP3A4TSHR

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-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed