SCHEMBL10149042

SCHEMBL10149042

Nc1cc(-c2ccc(C(=O)O)cc2)n2ccc(C(F)(F)F)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 2/20 0.48
MAP4K4 O95819 1/20 0.43
SRD5A2 P31213 3/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 2/20 0.41
MAP2K4 P45985 2/20 0.41
MAPK6 Q16659 2/20 0.41
MAPKAPK3 Q16644 1/20 0.41
MAPKAPK5 Q8IW41 1/20 0.41
BTK Q06187 1/20 0.40
CYP2C8 P10632 1/20 0.39
PTGS2 P35354 1/20 0.39
USP7 Q93009 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10148380 0.83 KDM4E (0.47) RXRARXRBKDM4EALDH1A1HPGD
SCHEMBL10123699 0.81 RXRA (0.45) RXRARXRBRXRGSRD5A2MAPK1
SCHEMBL10148986 0.80 RXRA (0.44) RXRARXRBMAP4K4SRD5A2KDM4E
SCHEMBL10148371 0.80 KDM4E (0.36) RXRARXRBRXRGMAP4K4SRD5A2
SCHEMBL10148487 0.72 KDM4E (0.38) RXRARXRBMAP4K4KDM4EALDH1A1
SCHEMBL18587126 0.71 MAP4K4 (0.59) RXRARXRBRXRGMAP4K4SRD5A2
SCHEMBL10123803 0.69 RXRA (0.45) RXRARXRBRXRGSRD5A2TDP1
SCHEMBL10123807 0.68 GABRA1 (0.40) RXRARXRBRXRG
SCHEMBL14176107 0.68 KDM4E (0.46) RXRARXRBRXRGMAP4K4SRD5A2
SCHEMBL505133 0.67 SRD5A2 (0.77) RXRARXRBRXRGMAP4K4SRD5A2

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-2415771-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2012-02-08 EP disclosed