SCHEMBL29494419

SCHEMBL29494419

Cc1ccc(N)cc1C(=O)NCc1c2c(cc3c1CCC3)CCC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NLRP3 Q96P20 5/20 0.38
▸ HPGD P15428 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ EZH2 Q15910 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL29494467 0.82 BAZ2B (0.44) SMN1; SMN2NLRP3ALDH1A1NPC1MEN1
SCHEMBL29494480 0.82 MEN1 (0.42) SMN1; SMN2NLRP3ALDH1A1NPC1MEN1
SCHEMBL7233950 0.73 SMN1; SMN2 (0.43) SMN1; SMN2HPGDALDH1A1KDM4EALOX5
SCHEMBL18382971 0.73 HTT (0.59) SMN1; SMN2HPGDALDH1A1KDM4EMEN1
SCHEMBL31079645 0.71 CASP1 (0.45) SMN1; SMN2HPGDALDH1A1KDM4EALOX5
SCHEMBL10156668 0.71 CASP1 (0.45) SMN1; SMN2HPGDALDH1A1KDM4EALOX5
SCHEMBL23243065 0.71 ALDH1A1 (0.45) SMN1; SMN2HPGDALDH1A1KDM4EMEN1
SCHEMBL31079648 0.71 ALDH1A1 (0.45) SMN1; SMN2HPGDALDH1A1KDM4EMEN1
SCHEMBL15630970 0.71 KDM4E (0.56) SMN1; SMN2ALDH1A1KDM4EALOX5KMT2A
SCHEMBL7610734 0.69 GALR3 (0.56) SMN1; SMN2HPGDALDH1A1KDM4ENPC1

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
WO-2022070048-A1 NOVEL AMIDE DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2022-04-07 — — WO claimed
WO-2022070048-A1 NOVEL AMIDE DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2022-04-07 — — WO disclosed
Send feedback