SCHEMBL29237155

SCHEMBL29237155

CCCCOCCC#N.N#CCCCCCCC#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.36
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
CES2 O00748 1/20 0.32
HPGD P15428 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PRKD3 O94806 1/20 0.30
PRKCG P05129 1/20 0.30

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
SCHEMBL1246944 0.93
SCHEMBL8136319 0.91 TSHR (0.59) TSHRHTTMEN1THRBKMT2A
SCHEMBL8880676 0.91 TSHR (0.52) TSHRHTTMEN1THRBKMT2A
SCHEMBL2879749 0.89 TSHR (0.50) TSHRHTTMEN1THRBKMT2A
SCHEMBL10623172 0.89 TSHR (0.56) TSHRHTTMEN1THRBKMT2A
SCHEMBL9122467 0.89 TSHR (0.56) TSHRHTTMEN1THRBKMT2A
SCHEMBL6610765 0.89 TSHR (0.50) TSHRHTTMEN1THRBKMT2A
SCHEMBL7947857 0.89 TSHR (0.50) TSHRHTTMEN1THRBKMT2A
SCHEMBL20377446 0.89 TSHR (0.56) TSHRHTTMEN1THRBKMT2A
SCHEMBL6612881 0.89 TSHR (0.50) TSHRHTTMEN1THRBKMT2A

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-118198492-A Battery cell 珠海冠宇电池股份有限公司 2024-06-14 CN claimed
CN-118198492-A Battery cell 珠海冠宇电池股份有限公司 2024-06-14 CN disclosed