SCHEMBL11048733

SCHEMBL11048733

CCCCCCCCCCN(CC)C(N)=S

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.62
CA12 O43570 4/20 0.57
CA1 P00915 4/20 0.57
CA9 Q16790 4/20 0.57
CA2 P00918 3/20 0.57
ALDH1A1 P00352 2/20 0.43
ALDH2 P05091 2/20 0.43
DNM1 Q05193 3/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
ABCB11 O95342 2/20 0.36
HTT P42858 2/20 0.36
GSDMD P57764 2/20 0.36
EHMT2 Q96KQ7 2/20 0.36
EHMT1 Q9H9B1 2/20 0.36
CYP2E1 P05181 1/20 0.36
PTGS1 P23219 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL9665522 1.00 MGLL (0.62) MGLLCA12CA1CA9CA2
SCHEMBL9665534 0.91 CA12 (0.61) MGLLCA12CA1CA9CA2
SCHEMBL5695010 0.91 CA12 (0.61) MGLLCA12CA1CA9CA2
SCHEMBL11387308 0.91 CA12 (0.61) MGLLCA12CA1CA9CA2
SCHEMBL5695101 0.91 CA12 (0.61) MGLLCA12CA1CA9CA2
SCHEMBL635408 0.91 CA12 (0.61) MGLLCA12CA1CA9CA2
SCHEMBL27866693 0.91 CA12 (0.61) MGLLCA12CA1CA9CA2
SCHEMBL9666762 0.91 CA12 (0.59) MGLLCA12CA1CA9CA2
SCHEMBL17956778 0.91 CA12 (0.61) MGLLCA12CA1CA9CA2
SCHEMBL1101234 0.89 CA12 (0.58) MGLLCA12CA1CA9CA2

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-4464390-A Control of parasitic mites with alkyl carbamates THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1984-08-07 US disclosed