SCHEMBL28810901

SCHEMBL28810901

O=CC(Cn1ccnc1)c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP11B1 P15538 4/20 0.44
CYP11B2 P19099 4/20 0.44
GFER P55789 1/20 0.40
FDPS P14324 1/20 0.40
AGER Q15109 1/20 0.39
CYP19A1 P11511 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
TBXAS1 P24557 1/20 0.38
QPCT Q16769 1/20 0.38
CYP4Z1 Q86W10 1/20 0.38
QPCTL Q9NXS2 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
SCHEMBL9367726 0.79 CYP19A1 (0.54) SMN1; SMN2MEN1TSHRKMT2ACYP11B1
SCHEMBL28810898 0.78 SMN1; SMN2 (0.50) SMN1; SMN2MEN1TSHRKMT2ACYP11B1
SCHEMBL30928337 0.77 CYP19A1 (0.55) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL27956577 0.73 AGER (0.42) MEN1KMT2ACYP11B1CYP11B2FDPS
SCHEMBL27775796 0.72 CYP11B1 (0.43) CYP11B1CYP11B2AGERCYP19A1CYP1A2
SCHEMBL27956581 0.72 CYP17A1 (0.54) MEN1KMT2ACYP11B1CYP11B2CYP19A1
SCHEMBL27956579 0.72 CYP19A1 (0.53) TSHRCYP11B1CYP11B2CYP19A1KDM4E
SCHEMBL27956540 0.72 CYP19A1 (0.56) CYP11B1CYP11B2CYP19A1POLB
SCHEMBL27956564 0.72 HMOX1 (0.59) CYP11B1CYP11B2CYP19A1
SCHEMBL9368235 0.72 TBXAS1 (0.44) SMN1; SMN2MEN1TSHRKMT2AGFER

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
CN-103724271-A Substituted imidazole-1-ethylene compound and application thereof LUWAN BRANCH RUI JIN HOSPITAL SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE 2014-04-16 CN disclosed