SCHEMBL2127640

SCHEMBL2127640

Cc1cccc2cc(CN(C(=O)c3ccco3)C3CC3)c(=O)[nH]c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
NPC1 O15118 1/20 0.68
ALDH1A1 P00352 13/20 0.68
KDM4E B2RXH2 10/20 0.68
HSD17B10 Q99714 6/20 0.68
NPSR1 Q6W5P4 3/20 0.68
LMNA P02545 3/20 0.68
USP2 O75604 1/20 0.60
HPGD P15428 1/20 0.59
ATM Q13315 1/20 0.57
TSHR P16473 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
PKM P14618 2/20 0.54
GLA P06280 1/20 0.54
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL2126105 0.89 ALDH1A1 (0.62) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL2128164 0.86 ALDH1A1 (0.61) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL2127343 0.82 KDM4E (0.71) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL13496402 0.82 KMT2A (0.83) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL2127495 0.77 ALDH1A1 (0.77) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL13496413 0.73 KMT2A (0.82) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL14068803 0.73 ALDH1A1 (0.68) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL13496401 0.72 ALDH1A1 (0.84) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL13496705 0.72 ALDH1A1 (0.62) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL12594548 0.72 ALDH1A1 (0.83) KMT2AMEN1NPC1ALDH1A1KDM4E

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-2185507-B1 FUNGICIDE N-6-MEMBERED FUSED (HETERO)ARYL-METHYLENE-N-CYCLOALKYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-04-25 EP claimed