SCHEMBL7717128

SCHEMBL7717128

COc1ccc(C(=O)Nc2ccn(CC(=O)N(CCNC(=O)OC(C)(C)C)CC(=O)OCc3ccccc3)c(=O)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.40
RIN1 Q13671 2/20 0.40
MAPT P10636 2/20 0.38
RAB9A P51151 3/20 0.37
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
HDAC1 Q13547 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
F2 P00734 1/20 0.35
SIGMAR1 Q99720 1/20 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
SCHEMBL6046930 0.89 MAPT (0.42) MAPTRAB9AKMT2AALDH1A1MEN1
SCHEMBL8645940 0.88 MAPT (0.43) ABL1RIN1MAPTRAB9AKMT2A
SCHEMBL3731633 0.84 MAPT (0.45) ABL1RIN1MAPTRAB9AKMT2A
SCHEMBL3670409 0.84 RAB9A (0.47) ABL1RIN1MAPTRAB9AKMT2A
SCHEMBL7263078 0.81 HDAC1 (0.41) KMT2AALDH1A1MEN1ADORA3CKS1B
SCHEMBL5202116 0.76 SYK (0.40) ABL1RIN1MAPTRAB9AKMT2A
SCHEMBL7263673 0.76 FPR2 (0.47) MAPTRAB9AKMT2AALDH1A1MEN1
SCHEMBL6046941 0.73 HPGD (0.41) KMT2AMEN1
SCHEMBL8645717 0.73 RAB9A (0.51) ABL1RIN1MAPTRAB9AKMT2A
SCHEMBL7186509 0.72 CKS1B (0.38) MAPTCKS1BSKP1SKP2SIGMAR1

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
US-6359125-B1 DERIVATIZING SURFACE OF SOLID MATRIX WITH AMINOALKYLOXYSILANE AND ATTACHING LINKER WITH ACID-LABILE PROTECTING GROUP TO AMINE GROUP ON MATRIX, COATING MATRIX WITH POLYMERIC PHOTOACID GENERATOR, EXPOSING TO LIGHT, ATTACHING PEPTIDE NUCLEIC ACID SAMSUNG ELECTRONICS CO., LTD. (KR) 2002-03-19 US disclosed