SCHEMBL7088005

SCHEMBL7088005

CCOC(=O)Cc1ccc(NC(=C2C(=O)Nc3ccc(N)cc32)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
PDPK1 O15530 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
TNF P01375 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36

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
SCHEMBL7087999 1.00 MEN1 (0.43) MEN1HTTKMT2ASMN1; SMN2MAPT
SCHEMBL6326418 0.89 IDO1 (0.52) MEN1HTTKMT2ASMN1; SMN2MAPT
SCHEMBL6326423 0.89 IDO1 (0.52) MEN1HTTKMT2ASMN1; SMN2MAPT
SCHEMBL7087804 0.86 PDPK1 (0.42) MEN1HTTKMT2ASMN1; SMN2MAPT
SCHEMBL7087806 0.86 PDPK1 (0.42) MEN1HTTKMT2ASMN1; SMN2MAPT
SCHEMBL5783077 0.85 RET (0.48) MEN1HTTKMT2ASMN1; SMN2MAPT
SCHEMBL7474780 0.85 RET (0.48) MEN1HTTKMT2ASMN1; SMN2MAPT
SCHEMBL5783080 0.85 RET (0.48) MEN1HTTKMT2ASMN1; SMN2MAPT
SCHEMBL5627554 0.85 AURKA (0.47) MEN1HTTKMT2ASMN1; SMN2MAPT
SCHEMBL6986615 0.85 AURKA (0.47) MEN1HTTKMT2ASMN1; SMN2MAPT

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 2 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
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US disclosed