SCHEMBL28616767

SCHEMBL28616767

O=C1c2ccc(Br)cc2CN1C(Cl)(C(=O)O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SDCBP O00560 2/20 0.40
SDC2 P34741 2/20 0.40
PRMT5 O14744 2/20 0.37
WDR77 Q9BQA1 2/20 0.37
SRD5A1 P18405 2/20 0.36
SRD5A2 P31213 1/20 0.36
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
HSD17B3 P37058 3/20 0.34
PARP1 P09874 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL16099526 0.79 SDCBP (0.47) SDCBPSDC2PRMT5WDR77SRD5A1
SCHEMBL19475669 0.72 HSD17B3 (0.39) SDCBPSDC2KDM4EHSD17B3PARP1
SCHEMBL2144912 0.72 SDCBP (0.48) SDCBPSDC2PRMT5WDR77SRD5A1
SCHEMBL1500134 0.72 SDCBP (0.42) SDCBPSDC2PRMT5WDR77SRD5A1
SCHEMBL30336648 0.72 SDCBP (0.42) SDCBPSDC2PRMT5WDR77SRD5A1
SCHEMBL16098139 0.72 SDCBP (0.44) SDCBPSDC2PRMT5WDR77SRD5A1
SCHEMBL18065186 0.69 SDCBP (0.41) SDCBPSDC2PRMT5WDR77SRD5A1
SCHEMBL3051492 0.68 NPC1 (0.65) SDCBPSDC2PRMT5WDR77MEN1
SCHEMBL1500111 0.68 HDAC1 (0.49) PRMT5WDR77KDM4EALOX15TSHR
SCHEMBL290250 0.67 BRD4 (0.56) SDCBPSDC2PRMT5WDR77SRD5A1

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-107849034-B EGFR inhibitors and methods of use thereof 达纳-法伯癌症研究所公司 2021-09-03 CN disclosed