SCHEMBL31084601

SCHEMBL31084601

O=C(NNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1cc(=O)[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.61
▸ LMNA P02545 7/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ CXCR5 P32302 1/20 0.61
▸ APLNR P35414 1/20 0.61
▸ CCR6 P51684 1/20 0.61
▸ EGFR P00533 1/20 0.51
▸ KDM4E B2RXH2 5/20 0.49
▸ KMT2A Q03164 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ POLB P06746 1/20 0.45

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
SCHEMBL26341706 1.00 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2CXCR5APLNR
SCHEMBL26341711 0.84 LMNA (0.54) ALDH1A1LMNASMN1; SMN2CXCR5APLNR
SCHEMBL26341512 0.77 LMNA (1.00) ALDH1A1LMNASMN1; SMN2CXCR5APLNR
SCHEMBL26341288 0.75 LMNA (0.72) ALDH1A1LMNASMN1; SMN2CXCR5APLNR
SCHEMBL26341744 0.75 LMNA (0.69) ALDH1A1LMNASMN1; SMN2CXCR5APLNR
SCHEMBL26341725 0.74 LMNA (0.67) ALDH1A1LMNASMN1; SMN2CXCR5APLNR
SCHEMBL16112358 0.73 LMNA (0.72) ALDH1A1LMNASMN1; SMN2CXCR5APLNR
SCHEMBL26341663 0.73 LMNA (0.72) ALDH1A1LMNASMN1; SMN2CXCR5APLNR
SCHEMBL26341491 0.73 LMNA (0.72) ALDH1A1LMNASMN1; SMN2CXCR5APLNR
SCHEMBL26341361 0.72 LMNA (0.70) ALDH1A1LMNASMN1; SMN2CXCR5APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118660877-A Preparation method of diphenyl pyrazole compound 西北农林科技大学 2024-09-17 — — CN disclosed
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