SCHEMBL7089162

SCHEMBL7089162

CCOC(=O)CN(c1ccc(N/C(=C2\C(=O)Nc3ccc(N)cc32)c2ccccc2)cc1)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
POLB P06746 3/20 0.38
KMT2A Q03164 3/20 0.37
TSHR P16473 2/20 0.37
RET P07949 1/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
PTPN1 P18031 3/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
PDPK1 O15530 2/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 2/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL7089165 1.00 NPC1 (0.38) NPC1POLBKMT2ATSHRRET
SCHEMBL7088131 0.88 KMT2A (0.43) NPC1POLBKMT2ATSHRRET
SCHEMBL7088133 0.88 KMT2A (0.43) NPC1POLBKMT2ATSHRRET
SCHEMBL6320458 0.88 MEN1 (0.44) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL6320456 0.88 MEN1 (0.44) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL7082450 0.87 RET (0.38) NPC1POLBRETRAB9AALDH1A1
SCHEMBL7082447 0.87 RET (0.38) NPC1POLBRETRAB9AALDH1A1
SCHEMBL7087692 0.84 PDPK1 (0.36) KMT2ATSHRRETPDPK1MEN1
SCHEMBL7087687 0.84 PDPK1 (0.36) KMT2ATSHRRETPDPK1MEN1
SCHEMBL7083785 0.84 SMN1; SMN2 (0.44) POLBKMT2ATSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071665-B1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-01 EP disclosed
EP-1071665-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
WO-1999052869-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-21 WO disclosed