SCHEMBL28065333

SCHEMBL28065333

CC(CCC(NC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 12/20 0.49
PIN1 Q13526 1/20 0.47
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
PHGDH O43175 1/20 0.44
CD274 Q9NZQ7 1/20 0.44

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
SCHEMBL16447254 0.84 KDM1A (0.53) KDM1APIN1
SCHEMBL16447253 0.84 KDM1A (0.53) KDM1APIN1
SCHEMBL18043479 0.83 PHGDH (0.50) KDM1APIN1PHGDHCD274
SCHEMBL16447454 0.83 PHGDH (0.50) KDM1APIN1PHGDHCD274
SCHEMBL16455182 0.82 KDM1A (0.53) KDM1AALDH1A1PHGDH
SCHEMBL16455163 0.82 KDM1A (0.53) KDM1APIN1PHGDHCD274
SCHEMBL16447279 0.81 KDM1A (0.51) KDM1A
SCHEMBL20924673 0.81 KDM1A (0.51) KDM1A
SCHEMBL16447281 0.81 KDM1A (0.51) KDM1A
SCHEMBL19466143 0.80 PHGDH (0.52) ALDH1A1HPGDPHGDHCD274

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
CN-105592888-A Kdm1a inhibitors for the treatment of disease IMAGO BIOSCIENCES INC 2016-05-18 CN disclosed