SCHEMBL28610796

SCHEMBL28610796

Nc1ccc(N)cc1.O=C(O)c1ccc(C(=O)O)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.57
▸ CASP1 P29466 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ ALDH1A1 P00352 6/20 0.49
▸ POLB P06746 2/20 0.49
▸ SRD5A2 P31213 2/20 0.49
▸ MAPT P10636 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ PTPN1 P18031 1/20 0.48
▸ PYGL P06737 3/20 0.48
▸ MEN1 O00255 2/20 0.44
▸ THRB P10828 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ USP2 O75604 1/20 0.44

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
SCHEMBL30162746 0.90 TSHR (0.68) TSHRCASP1SMN1; SMN2ALDH1A1POLB
SCHEMBL68294 0.90 TSHR (0.68) TSHRCASP1SMN1; SMN2ALDH1A1POLB
Hydrochloric Acid SCHEMBL1681859 0.88 TSHR (0.65) TSHRCASP1SMN1; SMN2ALDH1A1POLB
Hydrochloric Acid SCHEMBL943311 0.88 TSHR (0.65) TSHRCASP1SMN1; SMN2ALDH1A1POLB
SCHEMBL10434174 0.85 MAPT (0.59) TSHRCASP1SMN1; SMN2ALDH1A1POLB
SCHEMBL99697 0.84 CASP1 (0.63) TSHRCASP1SMN1; SMN2ALDH1A1POLB
Aminosalicylic Acid SCHEMBL5070587 0.84 ALDH1A1 (0.67) TSHRCASP1SMN1; SMN2ALDH1A1POLB
Hydrochloric Acid SCHEMBL11630591 0.82 CASP1 (0.61) TSHRCASP1SMN1; SMN2ALDH1A1POLB
SCHEMBL15463360 0.81 TSHR (0.57) TSHRCASP1SMN1; SMN2ALDH1A1SRD5A2
SCHEMBL15855876 0.81 TSHR (0.61) TSHRCASP1SMN1; SMN2ALDH1A1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114142165-A Porous layer for nonaqueous electrolyte secondary battery 住友化学株式会社 2022-03-04 — — CN disclosed
CN-113228400-A Nonaqueous electrolyte secondary battery 松下知识产权经营株式会社 2021-08-06 — — CN disclosed
CN-113169416-A Nonaqueous electrolyte secondary battery 松下知识产权经营株式会社 2021-07-23 — — CN disclosed
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