SCHEMBL21155472

SCHEMBL21155472

O=C1CCCc2cc(F)c(Br)cc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAOA P21397 10/20 0.44
MAOB P27338 10/20 0.44
PRKCI P41743 1/20 0.44
CYP2A6 P11509 1/20 0.41
HSD17B1 P14061 3/20 0.40
GRM5 P41594 1/20 0.38
BAZ2B Q9UIF8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
ABCC9 O60706 3/20 0.34
ABCC8 Q09428 3/20 0.34
KCNJ11 Q14654 3/20 0.34
KCNJ8 Q15842 3/20 0.34

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
SCHEMBL14059190 0.96 MAPK1 (0.44) MAPK1MEN1KMT2ANPSR1MAOA
SCHEMBL16858594 0.93 MAPK1 (0.49) MAPK1MEN1KMT2ANPSR1MAOA
SCHEMBL9245663 0.89 HSD17B1 (0.44) MAPK1MEN1KMT2ANPSR1MAOB
SCHEMBL30042961 0.89 HSD17B1 (0.44) MAPK1MEN1KMT2ANPSR1MAOB
SCHEMBL5372286 0.84 MEN1 (0.55) MAPK1MEN1KMT2ANPSR1MAOA
SCHEMBL8615975 0.84 MEN1 (0.55) MAPK1MEN1KMT2ANPSR1MAOA
SCHEMBL4808913 0.81 HSD17B1 (0.44) MAPK1MEN1KMT2ANPSR1MAOB
SCHEMBL11460835 0.78 MEN1 (0.49) MAPK1MEN1KMT2ANPSR1MAOA
SCHEMBL21155471 0.78 MEN1 (0.49) MAPK1MEN1KMT2ANPSR1MAOA
SCHEMBL30888604 0.78 MAOA (0.49) MAPK1MEN1KMT2ANPSR1MAOA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640156-A RIPK1 inhibitors 上海齐鲁制药研究中心有限公司 2023-08-25 CN disclosed
WO-2023119210-A1 NOVEL COMPOUND AS RIPK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 제일약품주식회사 2023-06-29 WO disclosed
WO-2023119210-A1 NOVEL COMPOUND AS RIPK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 제일약품주식회사 2023-06-29 WO disclosed
WO-2019134680-A1 INHIBITOR OF APOPTOSIS SIGNAL-REGULATING KINASE-1 AND APPLICATION THEREOF 广州市恒诺康医药科技有限公司 2019-07-11 WO disclosed