SCHEMBL5535338

SCHEMBL5535338

Cc1ccc(N)c(C(C)(O)O)c1.Cc1cccc(N)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 3/20 0.39
TSHR P16473 1/20 0.39
PIK3CA P42336 1/20 0.39
TDP1 Q9NUW8 3/20 0.37
ALOX15 P16050 3/20 0.37
TP53 P04637 2/20 0.37
THRB P10828 1/20 0.37
PGR P06401 1/20 0.37
ALDH1A1 P00352 5/20 0.36
CD44 P16070 1/20 0.36
TRPA1 O75762 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.34
PDK2 Q15119 1/20 0.33
CYP1A2 P05177 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAPK1 P28482 2/20 0.32

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
SCHEMBL33608 0.85 SMN1; SMN2 (0.63) SMN1; SMN2CYP3A4TSHRTDP1ALOX15
SCHEMBL10830774 0.78 CYP3A4 (0.50) SMN1; SMN2CYP3A4TSHRPIK3CATDP1
2,5-Xylidine SCHEMBL8448393 0.74 ALDH1A1 (0.68) SMN1; SMN2CYP3A4TSHRPIK3CATDP1
SCHEMBL28813445 0.74 SMN1; SMN2 (0.51) SMN1; SMN2CYP3A4TSHRTDP1ALOX15
SCHEMBL3291266 0.74 SMN1; SMN2 (0.63) SMN1; SMN2CYP3A4TSHRTDP1ALOX15
SCHEMBL7935795 0.74 TSHR (0.54) SMN1; SMN2CYP3A4TSHRPIK3CATDP1
SCHEMBL9769170 0.73 SMN1; SMN2 (0.50) SMN1; SMN2CYP3A4TSHRTDP1ALOX15
Hydrogen Peroxide SCHEMBL28415811 0.73 CYP3A4 (0.65) SMN1; SMN2CYP3A4TSHRPIK3CATDP1
SCHEMBL28788726 0.73 CYP3A4 (0.72) SMN1; SMN2CYP3A4TSHRPIK3CATDP1
SCHEMBL29440219 0.73

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220380-B2 System and method for fabricating a three-dimensional metal object using solid free-form fabrication HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2007-05-22 US claimed
US-20050079086-A1 System and method for fabricating a three-dimensional metal object using solid free-form fabrication HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2005-04-14 US claimed