SCHEMBL6821163

SCHEMBL6821163

Cc1cc(C(=O)N2CCCC2)cnc1N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.49
TSHR P16473 1/20 0.46
GRM5 P41594 3/20 0.44
DHODH Q02127 2/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PLA2G7 Q13093 1/20 0.43
GBA1 P04062 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL1187879 0.84 DHODH (0.52) HPGDDHODHKMT2ALMNATP53
SCHEMBL6824364 0.80 GRM5 (0.51) HPGDTSHRGRM5KMT2AMAPK1
SCHEMBL22096781 0.80 CHRNB2 (0.45) DHODHLMNATP53MAPT
SCHEMBL2366247 0.79 KDM4E (0.42) HPGDTSHRKMT2ALMNATP53
SCHEMBL423103 0.77 GRM5 (0.48) HPGDTSHRGRM5KMT2ALMNA
SCHEMBL2365753 0.75 MEN1 (0.43) KMT2AMAPT
SCHEMBL13433926 0.75 HPGD (0.55) HPGDGRM5MAPK1ALDH1A1KDM4E
SCHEMBL10306678 0.75 TSHR (0.40) TSHRKMT2AHSD17B10
SCHEMBL2366420 0.74 KDM4E (0.38) HPGDTSHRTP53ALDH1A1KDM4E
SCHEMBL2366878 0.74 ALDH1A1 (0.38) HPGDTSHRKMT2AMAPK1LMNA

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-2004074278-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-09-02 WO disclosed