SCHEMBL28337020

SCHEMBL28337020

CCCCCCCCCCCCCl.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.68
ALDH1A1 P00352 1/20 0.68
TDP1 Q9NUW8 1/20 0.50
DNM1 Q05193 3/20 0.48
THRB P10828 1/20 0.42
KCNH2 Q12809 3/20 0.40
KDM5A P29375 2/20 0.39
PHF8 Q9UPP1 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 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
SCHEMBL1883604 1.00 TSHR (0.68) TSHRALDH1A1TDP1DNM1THRB
SCHEMBL1885691 1.00 TSHR (0.68) TSHRALDH1A1TDP1DNM1THRB
Bromide SCHEMBL5550586 0.97 TSHR (0.65) TSHRALDH1A1TDP1DNM1THRB
Bromide SCHEMBL8490443 0.97 TSHR (0.65) TSHRALDH1A1TDP1DNM1THRB
Bromide SCHEMBL5551000 0.97 TSHR (0.65) TSHRALDH1A1TDP1DNM1THRB
SCHEMBL28573267 0.95 TSHR (0.60) TSHRALDH1A1TDP1DNM1THRB
SCHEMBL6945510 0.95 TSHR (0.60) TSHRALDH1A1TDP1DNM1KCNH2
SCHEMBL28571943 0.95 TSHR (0.60) TSHRALDH1A1TDP1DNM1THRB
SCHEMBL28573898 0.95 TSHR (0.60) TSHRALDH1A1TDP1DNM1THRB
SCHEMBL21842845 0.95 TSHR (0.60) TSHRALDH1A1TDP1DNM1THRB

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
CN-110575786-B Novel hydrophobic composition 江苏四新科技应用研究所股份有限公司 2021-09-14 CN disclosed
CN-110575786-A Novel hydrophobic composition 江苏四新科技应用研究所股份有限公司 2019-12-17 CN disclosed