SCHEMBL14335737

SCHEMBL14335737

C[C@@](O)(c1ccc(Br)cc1)C1CCCN(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CHRM3 P20309 4/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CHRNA7 P36544 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ USP2 O75604 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CYP2J2 P51589 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL14335736 1.00 L3MBTL1 (0.41) L3MBTL1ATMCHRM3KMT2AMEN1
SCHEMBL14335739 1.00 L3MBTL1 (0.41) L3MBTL1ATMCHRM3KMT2AMEN1
SCHEMBL14375625 0.85 FPR2 (0.49) KMT2AMEN1CHRNA7HPGDALDH1A1
SCHEMBL15675293 0.85 FPR2 (0.49) KMT2AMEN1CHRNA7HPGDALDH1A1
SCHEMBL15675294 0.85 FPR2 (0.49) KMT2AMEN1CHRNA7HPGDALDH1A1
SCHEMBL28775623 0.79 REN (0.45) L3MBTL1ATMCHRM3ALDH1A1GAA
SCHEMBL28775622 0.79 REN (0.45) L3MBTL1ATMCHRM3ALDH1A1GAA
SCHEMBL23089076 0.75 ALDH1A1 (0.35) L3MBTL1ATMCHRM3KMT2AALDH1A1
SCHEMBL14376208 0.75 CYP19A1 (0.42) CHRM3KMT2AMEN1CYP3A4CYP2D6
SCHEMBL28240876 0.73 CYP2D6 (0.38) KMT2ACYP2D6ALDH1A1LMNA

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-2721008-A1 HYDROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES Novartis AG (CH) 2014-04-23 — — EP disclosed
WO-2012175520-A1 HYDROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2012-12-27 — — WO disclosed
Send feedback