SCHEMBL26341735

SCHEMBL26341735

O=C(CC12C[C@H]3C[C@H](C1)C[C@@H](C2)C3)NNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 9/20 0.61
▸ ALDH1A1 P00352 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
▸ KDM4E B2RXH2 3/20 0.49
▸ HTT P42858 3/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ RECQL P46063 1/20 0.47
▸ P2RX7 Q99572 2/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PIN1 Q13526 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL30823697 1.00 LMNA (0.61) LMNAALDH1A1SMN1; SMN2CXCR5APLNR
SCHEMBL26341328 0.78 LMNA (0.70) LMNAALDH1A1SMN1; SMN2CXCR5APLNR
SCHEMBL27171248 0.77 ALDH1A1 (0.68) LMNAALDH1A1SMN1; SMN2CXCR5APLNR
SCHEMBL26341512 0.77 LMNA (1.00) LMNAALDH1A1SMN1; SMN2CXCR5APLNR
SCHEMBL26341752 0.76 LMNA (0.70) LMNAALDH1A1SMN1; SMN2CXCR5APLNR
SCHEMBL26341361 0.74 LMNA (0.70) LMNAALDH1A1SMN1; SMN2CXCR5APLNR
SCHEMBL30823692 0.73 LMNA (0.61) LMNAALDH1A1SMN1; SMN2CXCR5APLNR
SCHEMBL26341651 0.73 LMNA (0.61) LMNAALDH1A1SMN1; SMN2CXCR5APLNR
SCHEMBL16112358 0.73 LMNA (0.72) LMNAALDH1A1SMN1; SMN2CXCR5APLNR
SCHEMBL26341719 0.73 ALDH1A1 (0.68) LMNAALDH1A1SMN1; 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
EP-4249480-A1 DIPHENYLPYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Northwest A&F University (CN) 2023-09-27 — — EP disclosed
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