SCHEMBL31346642

SCHEMBL31346642

N#CCC(c1ccccc1)C(C#N)c1c(Cl)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
CNR1 P21554 1/20 0.35
TSHR P16473 1/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
PBRM1 Q86U86 1/20 0.34
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNB1 Q02641 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAP2K1 Q02750 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.30
S1PR3 Q99500 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
SCHEMBL31346643 1.00 TRPA1 (0.38) TRPA1CNR1TSHRESR1ESR2
SCHEMBL9616039 0.81 MEN1 (0.41) TRPA1CNR1TSHRESR1ESR2
SCHEMBL11156376 0.81 CACNA2D1 (0.40) CACNA2D1CACNA1BCACNB1GAAMEN1
SCHEMBL11159728 0.75 CACNA2D1 (0.40) TRPA1TSHRCACNA2D1CACNA1BCACNB1
SCHEMBL27704927 0.72 TRPA1 (0.48) TRPA1CNR1TSHRESR1ESR2
SCHEMBL11875973 0.71 ALDH1A1 (0.36) ALDH1A1GAA
SCHEMBL11076889 0.70 ESR1 (0.35) TSHRESR1ESR2ALDH1A1GAA
SCHEMBL11022144 0.70 TRPA1 (0.50) TRPA1CNR1TSHRPBRM1MEN1
SCHEMBL10509394 0.69 TRPA1 (0.41) TRPA1TSHRPBRM1
SCHEMBL19762907 0.69 TAAR1 (0.55) TRPA1TSHRPBRM1ALDH1A1HTT

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-119390038-B Preparation method of manganese titanium sodium phosphate positive electrode material for sodium ion battery and vehicle 浙江华宇钠电新能源科技有限公司 2025-04-15 CN disclosed
CN-119390038-A Preparation method of manganese titanium sodium phosphate positive electrode material for sodium ion battery and vehicle 浙江华宇钠电新能源科技有限公司 2025-02-07 CN disclosed