SCHEMBL25095023

SCHEMBL25095023

CCCCCCCCCCCCCCCCCN(C)I

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 7/20 0.60
TSHR P16473 2/20 0.47
THRB P10828 1/20 0.47
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GBA1 P04062 1/20 0.38
GGPS1 O95749 3/20 0.38
MGLL Q99685 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
SCHEMBL21335359 1.00 DNM1 (0.60) DNM1TSHRTHRBCA12CA1
SCHEMBL20673566 1.00 DNM1 (0.60) DNM1TSHRTHRBCA12CA1
SCHEMBL25997531 1.00 DNM1 (0.60) DNM1TSHRTHRBCA12CA1
SCHEMBL16181503 1.00 DNM1 (0.60) DNM1TSHRTHRBCA12CA1
SCHEMBL25959785 1.00 DNM1 (0.60) DNM1TSHRTHRBCA12CA1
SCHEMBL19290243 0.97
SCHEMBL15760055 0.88
SCHEMBL24235852 0.79 DNM1 (0.55) DNM1TSHRTHRBCA12CA1
SCHEMBL22505122 0.79 DNM1 (0.55) DNM1TSHRTHRBCA12CA1
SCHEMBL24472754 0.79 DNM1 (0.55) DNM1TSHRTHRBCA12CA1

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-2023028524-A1 NEW ANTIDEGRADANTS BASED ON FATTY ACIDS OR DERIVATIVES FUNCTIONALIZED WITH PHENYLENEDIAMINES FLEXSYS AMERICA L.P. (US) 2023-03-02 WO disclosed