SCHEMBL9753586

SCHEMBL9753586

Cc1cccc(NC(=O)c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.88
NPC1 O15118 2/20 0.88
GRM5 P41594 9/20 0.82
KMT2A Q03164 3/20 0.78
ATM Q13315 1/20 0.78
MEN1 O00255 2/20 0.77
SMN1; SMN2 Q16637 1/20 0.77

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
SCHEMBL13296220 0.93 GRM5 (0.82) RAB9ANPC1GRM5KMT2ASMN1; SMN2
SCHEMBL23367929 0.88 GRM5 (0.75) RAB9ANPC1GRM5KMT2ASMN1; SMN2
SCHEMBL821839 0.87 KMT2A (1.00) RAB9ANPC1GRM5KMT2AATM
SCHEMBL28327587 0.87 RXFP1 (0.78) RAB9ANPC1GRM5KMT2ASMN1; SMN2
SCHEMBL28326270 0.85 GRM5 (0.76) RAB9ANPC1GRM5KMT2ASMN1; SMN2
SCHEMBL8557860 0.85 GRM5 (1.00) RAB9ANPC1GRM5
SCHEMBL14742370 0.85 NPC1 (0.85) RAB9ANPC1GRM5KMT2AATM
SCHEMBL21652317 0.84 GRM5 (0.69) RAB9ANPC1GRM5KMT2ASMN1; SMN2
SCHEMBL31725239 0.83 RAB9A (0.78) RAB9ANPC1GRM5KMT2AMEN1
SCHEMBL3119185 0.83 RAB9A (0.78) RAB9ANPC1GRM5KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016004272-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2016-01-07 WO claimed
CN-116462661-A Deuterated 3- (pyridin-4-yl) propionic acid compound, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-07-21 CN disclosed
CN-109053558-B Synthesis method of N-heterocyclic amide derivative 贵州大学 2022-02-18 CN disclosed
CN-113735850-A Synthesis method of 1,2, 4-triazole compound 河南师范大学 2021-12-03 CN disclosed
WO-2016004272-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2016-01-07 WO disclosed
US-8192918-B2 Lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2012-06-05 US disclosed
US-8192918-B2 Lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2012-06-05 US disclosed
US-20100112476-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2010-05-06 US disclosed
US-20100112476-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2010-05-06 US disclosed
WO-2008132091-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2008-11-06 WO disclosed
EP-1985445-A1 A lithographic printing plate precursor Agfa Graphics N.V. (BE) 2008-10-29 EP disclosed
WO-1991017979-A1 PROCESS FOR THE PREPARATION OF 2-N-ACYLAMINOPYRIDINES AND 2-AMINOPYRIDINES FROM 5-OXOALKANENITRILE OXIMES DSM N.V. (NL) 1991-11-28 WO disclosed