SCHEMBL8932491

SCHEMBL8932491

COc1ccc(CSC2CN=C(OCCN(C)C)NC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
HRH3 Q9Y5N1 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
KCNH2 Q12809 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
DRD1 P21728 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C19 P33261 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL8932504 0.81 HTR7 (0.41) LMNAALDH1A1TSHRCYP1A2CHRM2
SCHEMBL8932498 0.78 ALDH1A1 (0.40) LMNAMAPTALDH1A1GAAKCNH2
SCHEMBL8932561 0.74 APP (0.36) LMNAMAPTALDH1A1TSHRMEN1
SCHEMBL8932465 0.73 NPC1 (0.40) LMNAMAPTALDH1A1KCNH2TSHR
SCHEMBL8932505 0.70 CHRM2 (0.36) LMNAHRH3KCNH2TSHRCYP1A2
SCHEMBL8932429 0.70 PKM (0.39) LMNAGAATSHRMEN1CYP1A2
SCHEMBL9201486 0.70 MAPT (0.39) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8932409 0.70 APP (0.42) ALDH1A1GAATSHRCYP3A4SMN1; SMN2
SCHEMBL8932546 0.70 CRBN (0.44) LMNA
SCHEMBL8932416 0.69 OPRK1 (0.37) LMNAALDH1A1KCNH2TSHRMEN1

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-1996026939-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-06 WO disclosed