SCHEMBL17850459

SCHEMBL17850459

COCC1CCN(C(=O)c2ccc(C)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
HSD11B1 P28845 1/20 0.53
MGLL Q99685 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
EPHX2 P34913 1/20 0.50
POLB P06746 2/20 0.49
GAA P10253 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
MAPK7 Q13164 1/20 0.46

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
SCHEMBL9928308 0.87 ACHE (0.62) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL15317649 0.85 MEN1 (0.58) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL10195735 0.83 KMT2A (0.65) KMT2AMEN1ALDH1A1LMNAHSD11B1
SCHEMBL18235883 0.82 KMT2A (0.63) KMT2AMEN1ALDH1A1LMNAHSD11B1
SCHEMBL21078088 0.81 KMT2A (0.61) KMT2AMEN1ALDH1A1LMNAHSD11B1
SCHEMBL10194845 0.81 KMT2A (0.61) KMT2AMEN1ALDH1A1LMNAHSD11B1
SCHEMBL10196662 0.80 KMT2A (0.65) KMT2AMEN1ALDH1A1LMNAHSD11B1
SCHEMBL23417126 0.79 KMT2A (0.60) KMT2AMEN1ALDH1A1LMNAHSD11B1
SCHEMBL18732487 0.79 KMT2A (0.60) KMT2AMEN1ALDH1A1LMNAHSD11B1
SCHEMBL10720760 0.79 JAK1 (0.54) KMT2AMEN1ALDH1A1HPGDPOLB

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-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed