SCHEMBL30610018

SCHEMBL30610018

O=C1c2ccccc2C(=O)c2c1cccc2C(=O)N1CCCCC1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.89
▸ GLA P06280 1/20 0.89
▸ ALDH1A1 P00352 6/20 0.66
▸ POLB P06746 4/20 0.66
▸ LMNA P02545 3/20 0.66
▸ TP53 P04637 1/20 0.66
▸ KMT2A Q03164 1/20 0.64
▸ ATM Q13315 1/20 0.64
▸ HTT P42858 3/20 0.60
▸ TSHR P16473 2/20 0.60
▸ MAPK10 P53779 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ USP2 O75604 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ GAA P10253 2/20 0.57
▸ NPC1 O15118 1/20 0.57

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
SCHEMBL14420673 0.94 SMN1; SMN2 (1.00) SMN1; SMN2GLAALDH1A1POLBLMNA
SCHEMBL3457699 0.94 GLA (1.00) SMN1; SMN2GLAALDH1A1POLBLMNA
SCHEMBL26187344 0.81 SMN1; SMN2 (0.60) SMN1; SMN2GLAALDH1A1POLBLMNA
SCHEMBL14095110 0.80 SMN1; SMN2 (0.71) SMN1; SMN2GLAALDH1A1POLBLMNA
SCHEMBL7365835 0.79 SMN1; SMN2 (0.58) SMN1; SMN2GLAALDH1A1POLBLMNA
SCHEMBL7899265 0.79 SMN1; SMN2 (0.57) SMN1; SMN2GLAALDH1A1POLBLMNA
SCHEMBL7399374 0.77 SMN1; SMN2 (0.56) SMN1; SMN2GLAALDH1A1POLBLMNA
SCHEMBL13826099 0.76 GLA (0.68) SMN1; SMN2GLAALDH1A1POLBLMNA
SCHEMBL10720608 0.76 TSHR (0.69) SMN1; SMN2GLAALDH1A1POLBKMT2A
SCHEMBL30441719 0.75 SMN1; SMN2 (0.60) SMN1; SMN2GLAALDH1A1POLBLMNA

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
WO-2023199238-A1 NOVEL COMPOUNDS TO TREAT CYTOKINE RELATED DISORDERS ZYDUS LIFESCIENCES LIMITED (IN) 2023-10-19 — — WO disclosed
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