SCHEMBL11042457

SCHEMBL11042457

CCN(CC)CC.CN(C(=S)S)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
PHGDH O43175 1/20 0.48
MGLL Q99685 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL35592 0.88 FAAH (0.59) FAAHPHGDHMGLLCA12CA1
SCHEMBL27277043 0.86 FAAH (0.57) FAAHPHGDHMGLLCA12CA1
Ammonia Solution, Strong SCHEMBL11524741 0.86 FAAH (0.57) FAAHPHGDHMGLLCA12CA1
SCHEMBL28726851 0.86 FAAH (0.57) FAAHPHGDHMGLLCA12CA1
Selenium SCHEMBL11702064 0.86 FAAH (0.57) FAAHPHGDHMGLLCA12CA1
SCHEMBL28439004 0.86 FAAH (0.57) FAAHPHGDHMGLLCA12CA1
SCHEMBL11660506 0.82 CHRM5 (0.41) CA1CA9ALDH1A1KMT2ASMN1; SMN2
SCHEMBL11656758 0.80 KDM4E (0.44) LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL6793592 0.80 ALDH1A1 (0.42) FAAHPHGDHMGLLCA12CA1
SCHEMBL24486753 0.75 L3MBTL1 (0.58) FAAHPHGDHMGLLCA12CA1

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
US-4468526-A Process for the preparation of thiuram disulfides AKZONA INCORPORATED (US) 1984-08-28 US disclosed