SCHEMBL28065197

SCHEMBL28065197

CC1(C(=O)O)CC1c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.44
RCOR1 Q9UKL0 3/20 0.44
LIG1 P18858 1/20 0.44
CCR2 P41597 1/20 0.41
PTGS2 P35354 1/20 0.40
HSD11B1 P28845 4/20 0.39
RECQL P46063 1/20 0.38
RORC P51449 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX1 P07099 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
SCHEMBL16455153 1.00 KDM1A (0.44) KDM1ARCOR1LIG1CCR2PTGS2
SCHEMBL17984248 1.00 KDM1A (0.44) KDM1ARCOR1LIG1CCR2PTGS2
SCHEMBL15766923 0.83 KDM1A (0.53) KDM1AMAOAMAOB
SCHEMBL14045495 0.83 KDM1A (0.53) KDM1AMAOAMAOB
SCHEMBL13556691 0.83 KDM1A (0.53) KDM1AMAOAMAOB
SCHEMBL3530324 0.83 KDM1A (0.53) KDM1AMAOAMAOB
SCHEMBL15541000 0.83 KDM1A (0.53) KDM1AMAOAMAOB
SCHEMBL8031930 0.82 KDM1A (0.44) KDM1ARCOR1LIG1RORCMAOA
SCHEMBL4904346 0.78 CYP11B2 (0.39) KDM1A
SCHEMBL28377204 0.78 TDP1 (0.44) RECQLNPSR1TDP1EPHX1

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