SCHEMBL8030835

SCHEMBL8030835

O=C(Nc1nc(-c2ccccc2)cn1-c1ccccc1)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC3 O15379 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
MAPKAPK2 P49137 1/20 0.46
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
ATR Q13535 1/20 0.45
CETP P11597 1/20 0.44
F10 P00742 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL8038965 0.85 TMIGD3 (0.50) ADORA3TMIGD3
SCHEMBL28428243 0.85 ADORA3 (0.56) ALDH1A1ADORA3TMIGD3
SCHEMBL8038447 0.85 HDAC1 (0.57) USP2ALDH1A1TSHRHSD17B10HDAC3
SCHEMBL8032750 0.82 ADORA3 (0.49) ADORA3TMIGD3
SCHEMBL8034917 0.81 GPR119 (0.54) ALDH1A1TSHRATRFLT3
SCHEMBL8038395 0.81 ALDH1A1 (0.52) ALDH1A1ADORA3TMIGD3
SCHEMBL8039052 0.80 HDAC1 (0.46) HDAC1ADORA3TMIGD3
SCHEMBL8021617 0.80 TMIGD3 (0.45) ALDH1A1ADORA3TMIGD3
SCHEMBL8039049 0.80 TMIGD3 (0.45) ADORA3TMIGD3
SCHEMBL8034915 0.80 MAPT (0.46) ALDH1A1ADORA3TMIGD3

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-2009099177-A1 AMINO IMIDAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-08-13 WO disclosed