SCHEMBL30195086

SCHEMBL30195086

CCCCCCN(NCC)NCC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.55
TSHR P16473 2/20 0.42
THRB P10828 1/20 0.42
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 1/20 0.36
GBA1 P04062 1/20 0.35
GGPS1 O95749 3/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
PHF8 Q9UPP1 1/20 0.35

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
SCHEMBL30368826 0.89 DNM1 (0.39) DNM1TSHRTHRBCA12CA1
SCHEMBL7530285 0.82 DNM1 (0.52) DNM1TSHRTHRBCA12CA1
SCHEMBL11090614 0.82 DNM1 (0.52) DNM1TSHRTHRBCA12CA1
SCHEMBL17067235 0.82 DNM1 (0.52) DNM1TSHRTHRBCA12CA1
SCHEMBL15935966 0.82 DNM1 (0.52) DNM1TSHRTHRBCA12CA1
SCHEMBL1492452 0.81 DNM1 (0.50) DNM1TSHRTHRBCA12CA1
SCHEMBL44328 0.81 DNM1 (0.50) DNM1TSHRTHRBCA12CA1
SCHEMBL10937110 0.80 TSHR (0.35) DNM1TSHRALDH1A1
SCHEMBL15935952 0.79 DNM1 (0.48) DNM1TSHRTHRBCA12CA1
SCHEMBL9421760 0.78 DNM1 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230175067-A1 PROGNOSIS METHOD FOR RENAL CELL CANCER NATIONAL CANCER CENTER (JP) 2023-06-08 US disclosed
CN-111050903-B Chromatographic packing material for separating and/or detecting methylated DNA 积水医疗株式会社 2023-02-28 CN disclosed