SCHEMBL28233100

SCHEMBL28233100

COc1cc(CCc2ccn[nH]2)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.49
CYP19A1 P11511 1/20 0.49
FGFR1 P11362 5/20 0.46
FGFR2 P21802 5/20 0.46
FGFR3 P22607 3/20 0.46
CALM1 P0DP23 3/20 0.46
AKR1B1 P15121 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
HRH2 P25021 1/20 0.46
KDR P35968 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SCN4A P35499 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41

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
SCHEMBL9491787 0.75 CYP19A1 (0.68) DAOCYP19A1FGFR1CALM1AKR1B1
SCHEMBL23409093 0.73 FGFR2 (0.52) DAOCYP19A1FGFR1FGFR2FGFR3
SCHEMBL27953115 0.72 SCN4A (0.51) LMNANPC1RAB9ASCN4A
SCHEMBL1922681 0.72 CYP19A1 (0.51) DAOCYP19A1FGFR1FGFR2FGFR3
SCHEMBL28861830 0.71 DAO (0.50) DAOCYP19A1FGFR1FGFR2FGFR3
SCHEMBL20227222 0.71 FGFR2 (0.50) DAOCYP19A1FGFR1FGFR2FGFR3
SCHEMBL1149871 0.71 USP2 (0.55) DAOUSP2LMNAHRH2SCN4A
SCHEMBL26793344 0.71
SCHEMBL28891744 0.70 CALM1 (0.75) CYP19A1CALM1AKR1B1
SCHEMBL18053017 0.70 FGFR2 (0.49) DAOCYP19A1FGFR1FGFR2FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108530361-A A kind of synthesis technology of 5- [2- (3,5- Dimethoxyphenyls) ethyl] -1H- pyrazoles -3- amine 重庆医药高等专科学校 2018-09-14 CN claimed
CN-108530361-A A kind of synthesis technology of 5- [2- (3,5- Dimethoxyphenyls) ethyl] -1H- pyrazoles -3- amine 重庆医药高等专科学校 2018-09-14 CN disclosed
CN-108530361-A A kind of synthesis technology of 5- [2- (3,5- Dimethoxyphenyls) ethyl] -1H- pyrazoles -3- amine 重庆医药高等专科学校 2018-09-14 CN disclosed