SCHEMBL6969183

SCHEMBL6969183

CC(C)(C)OC(=O)Nc1sccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
METAP1 P53582 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
CYP17A1 P05093 1/20 0.38
ATR Q13535 1/20 0.38
PTK2 Q05397 1/20 0.37
PSMB8 P28062 1/20 0.36
MIF P14174 1/20 0.36
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL14291444 0.84 ALDH1A1 (0.42) ALDH1A1METAP1SMN1; SMN2MEN1KMT2A
SCHEMBL19494478 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2APTK2
SCHEMBL1703501 0.79 PTPN2 (0.58) ALDH1A1METAP1SMN1; SMN2MEN1KMT2A
SCHEMBL29951266 0.79 METAP1 (0.42) METAP1SMN1; SMN2MEN1KMT2ACA12
SCHEMBL2928945 0.79 CA12 (0.45) METAP1SMN1; SMN2MEN1KMT2ACA12
SCHEMBL9291119 0.79 METAP1 (0.50) METAP1SMN1; SMN2MEN1KMT2ACA12
SCHEMBL23450058 0.78 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2APTK2
SCHEMBL1703720 0.78 KMT2A (0.66) ALDH1A1SMN1; SMN2MEN1KMT2AATR
SCHEMBL399013 0.78 METAP1 (0.43) METAP1SMN1; SMN2MEN1KMT2ACA12
SCHEMBL399916 0.78 METAP1 (0.43) METAP1SMN1; SMN2MEN1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022086892-A1 INTERLEUKIN 4 (IL4)-INDUCED GENE 1 INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2022-04-28 WO disclosed
WO-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO disclosed
EP-1226119-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2003-04-09 EP disclosed
US-6479512-B1 TO TREAT TYROSINE KINASE-DEPENDENT DISEASES AND CONDITIONS, SUCH AS ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY, INFLAMMATORY DISEASES, ETC. MERCK & CO., INC. 2002-11-12 US disclosed
EP-1226119-A2 TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2002-07-31 EP disclosed
WO-2001028993-A2 TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2001-04-26 WO disclosed