SCHEMBL18173074

SCHEMBL18173074

CC(=Cc1ccccc1)C1CC1NCC1CCN(CCC(=O)OC(C)(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 17/20 0.56
HTR4 Q13639 2/20 0.41
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
HDAC6 Q9UBN7 4/20 0.39

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
SCHEMBL18173072 1.00 KDM1A (0.56) KDM1AHTR4KDM4EPKMHDAC6
SCHEMBL18173070 1.00 KDM1A (0.56) KDM1AHTR4KDM4EPKMHDAC6
SCHEMBL20527397 1.00 KDM1A (0.56) KDM1AHTR4KDM4EPKMHDAC6
SCHEMBL18173076 1.00 KDM1A (0.56) KDM1AHTR4KDM4EPKMHDAC6
SCHEMBL18173483 0.88 KDM1A (0.63) KDM1AHDAC6
SCHEMBL21088487 0.88 KDM1A (0.63) KDM1AHDAC6
SCHEMBL20527352 0.88 KDM1A (0.63) KDM1AHDAC6
SCHEMBL18173482 0.88 KDM1A (0.63) KDM1AHDAC6
SCHEMBL18173485 0.88 KDM1A (0.63) KDM1AHDAC6
SCHEMBL18173484 0.88 KDM1A (0.63) KDM1AHDAC6

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-3286172-A1 LSD1 INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2018-02-28 EP disclosed
WO-2016172496-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-10-27 WO disclosed