SCHEMBL28429236

SCHEMBL28429236

COC(=O)c1cccc(Br)c1NC(=O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.43
TSHR P16473 2/20 0.42
MTNR1B P49286 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HSD17B10 Q99714 2/20 0.40
SLC6A3 Q01959 1/20 0.40
CFTR P13569 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40

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
SCHEMBL4732717 0.83 ALDH1A1 (0.49) F2RKMT2AMEN1ALDH1A1KDM4E
SCHEMBL17824803 0.79 KDM4E (0.53) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL30254597 0.78 PDK2 (0.44) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL23885473 0.78 PDK2 (0.44) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL29480975 0.75 F2R (0.43) F2RKMT2AMEN1ALDH1A1KDM4E
SCHEMBL28655848 0.74 HSD17B10 (0.63) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL5928724 0.74 TSHR (0.68) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL9573815 0.74 HSD17B10 (0.44) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL30997533 0.73 PDK1 (0.38) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL29279663 0.73 TSHR (0.52) KMT2AMEN1ALDH1A1KDM4ETSHR

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-111479814-A Fused pyridines as H-PGDS inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2020-07-31 CN disclosed