SCHEMBL19248970

SCHEMBL19248970

CC(C)(C)OC(=O)NCc1cc(=O)c2cc(Br)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CAMK2D Q13557 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ AAK1 Q2M2I8 1/20 0.39
▸ PRNP P04156 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ NR2E3 Q9Y5X4 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ MTNR1A P48039 2/20 0.38

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
SCHEMBL19964551 0.84 SMN1; SMN2 (0.55) LMNASMN1; SMN2CACNA1HCACNA1BCACNA1C
SCHEMBL19249105 0.84 CTSV (0.46) LMNAHPGDSMN1; SMN2CACNA1HCACNA1B
SCHEMBL19248869 0.83 GABRA1 (0.48) SMN1; SMN2CACNA1HCACNA1BCACNA1CMTNR1A
SCHEMBL19249202 0.83 GABRA1 (0.48) HPGDSMN1; SMN2MTNR1AMTNR1BKDM4A
SCHEMBL19211135 0.81 LMNA (0.54) LMNAHPGDPRNPCYP1A2CYP2C9
SCHEMBL9177217 0.81 L3MBTL1 (0.42) SMN1; SMN2CACNA1HCACNA1BCACNA1CKDM4A
SCHEMBL19248971 0.80 GABRA1 (0.52) SMN1; SMN2CACNA1HCACNA1BCACNA1CCYP1A2
SCHEMBL20729434 0.78 PRMT5 (0.53) —
SCHEMBL19249119 0.78 DRD4 (0.38) LMNAHPGDSMN1; SMN2CACNA1HCACNA1B
SCHEMBL7319151 0.76 IDO1 (0.58) CAMK2DMTNR1AMTNR1BHTR1DHTR1B

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
EP-3414229-B1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2021-06-16 — — EP disclosed
WO-2017139274-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2017-08-17 — — WO disclosed
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