SCHEMBL8829616

SCHEMBL8829616

C1=CSC(CNCc2cccs2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAN1B1 Q9UKM7 1/20 0.48
LMNA P02545 1/20 0.43
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
MAOB P27338 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
KDM1A O60341 1/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4532306 0.75 MAN1B1 (0.57) MAN1B1LMNAKMT2APOLBMEN1
SCHEMBL3159042 0.73 LMNA (0.68) LMNAKMT2APOLBMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6122085 0.71 KMT2A (0.69) LMNAKMT2APOLBMEN1ALDH1A1
SCHEMBL18358969 0.69
SCHEMBL2719543 0.66
SCHEMBL13922748 0.66
SCHEMBL4524507 0.66
SCHEMBL13277796 0.66 MAN1B1 (0.51) MAN1B1LMNAKMT2APOLBMEN1
Hydrochloric Acid SCHEMBL28571763 0.65 KMT2A (0.66) LMNAKMT2APOLBMEN1ALDH1A1
SCHEMBL10962630 0.65 MAOB (0.59) LMNAKMT2APOLBMEN1ALDH1A1

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-2012068251-A2 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE (US) 2012-05-24 WO disclosed