SCHEMBL27782464

SCHEMBL27782464

COc1ccc(-n2nnnc2SCC(=O)NN)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.76
▸ CYP1A2 P05177 1/20 0.72
▸ CYP3A4 P08684 1/20 0.72
▸ CYP2D6 P10635 1/20 0.72
▸ CYP2C19 P33261 1/20 0.72
▸ MEN1 O00255 2/20 0.71
▸ KMT2A Q03164 2/20 0.71
▸ HTT P42858 3/20 0.69
▸ ALDH1A1 P00352 6/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ LMNA P02545 4/20 0.63
▸ MAPT P10636 3/20 0.63
▸ TSHR P16473 2/20 0.63
▸ KDM4E B2RXH2 1/20 0.62
▸ JAK2 O60674 1/20 0.62
▸ PTP4A3 O75365 1/20 0.62
▸ ALPL P05186 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ ALPG P10696 1/20 0.62

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
SCHEMBL27895613 0.86 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL27804013 0.84 ALDH1A1 (0.72) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1702530 0.82 CYP1A2 (0.92) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL24210197 0.80 ALDH1A1 (0.83) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21952045 0.79 LMNA (0.75) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3796608 0.79 ALDH1A1 (1.00) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL14825271 0.77 SMN1; SMN2 (0.70) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL27307191 0.77 ALPG (1.00) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10673894 0.76 SMN1; SMN2 (0.65) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1493382 0.75 CYP1A2 (0.60) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19

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
CN-101723995-B Glycosyl derivative of aryltetrazole and preparation method and applications thereof XINJIANG TECH INST PHYSICS CAS 2013-04-03 — — CN disclosed
CN-101723995-A Glycosyl derivative of aryltetrazole and preparation method and applications thereof XINJIANG TECH INST PHYSICS CAS 2010-06-09 — — CN disclosed
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