SCHEMBL7087912

SCHEMBL7087912

CCOC(=O)c1cccc(NC(=C2C(=O)Nc3ccc(N)cc32)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
RAB9A P51151 6/20 0.47
POLB P06746 2/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 2/20 0.45
NPC1 O15118 5/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 3/20 0.44
NAMPT P43490 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL7087908 1.00 MAPT (0.48) MAPTRAB9APOLBPKMALDH1A1
SCHEMBL7241882 0.90 KMT2A (0.47) MAPTRAB9APOLBPKMALDH1A1
SCHEMBL7241876 0.90 KMT2A (0.47) MAPTRAB9APOLBPKMALDH1A1
SCHEMBL6321076 0.89 IDO1 (0.53) MAPTRAB9APOLBPKMALDH1A1
SCHEMBL6320518 0.89 IDO1 (0.53) MAPTRAB9APOLBPKMALDH1A1
SCHEMBL3152862 0.88 SMN1; SMN2 (0.49) MAPTRAB9APOLBPKMALDH1A1
SCHEMBL3152850 0.88 SMN1; SMN2 (0.49) MAPTRAB9APOLBPKMALDH1A1
SCHEMBL7084763 0.86 PDPK1 (0.48) MAPTRAB9APOLBSMN1; SMN2KMT2A
SCHEMBL7084766 0.86 PDPK1 (0.48) MAPTRAB9APOLBSMN1; SMN2KMT2A
SCHEMBL7089834 0.86 PDPK1 (0.43) MAPTKMT2AMEN1NPC1LMNA

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 4 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
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US 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