SCHEMBL7022393

SCHEMBL7022393

CCS(=O)(=O)N(CC(=O)NC)c1ccc(NC(=C2C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
IDO1 P14902 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDO2 P48775 1/20 0.38
TSHR P16473 1/20 0.36
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDR P35968 1/20 0.35
MST1R Q04912 1/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
HTT P42858 1/20 0.34
NAMPT P43490 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 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
SCHEMBL7022387 1.00 RORC (0.40) RORCKMT2AMEN1KDM4EPOLB
SCHEMBL6318824 0.92 KMT2A (0.45) KMT2AMEN1KDM4EPOLBSMN1; SMN2
SCHEMBL6320845 0.92 KMT2A (0.45) KMT2AMEN1KDM4EPOLBSMN1; SMN2
SCHEMBL6320327 0.92 IDO1 (0.39) RORCKMT2AMEN1KDM4EPOLB
SCHEMBL6320337 0.92 IDO1 (0.39) RORCKMT2AMEN1KDM4EPOLB
SCHEMBL6321837 0.90 IDO1 (0.38) RORCKMT2AMEN1KDM4EPOLB
SCHEMBL6321829 0.90 IDO1 (0.38) RORCKMT2AMEN1KDM4EPOLB
SCHEMBL7020980 0.89 IDO1 (0.40) RORCKMT2AMEN1KDM4EPOLB
SCHEMBL7020984 0.89 IDO1 (0.40) RORCKMT2AMEN1KDM4EPOLB
SCHEMBL6326944 0.88 MEN1 (0.38) RORCKMT2AMEN1KDM4EPOLB

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
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP disclosed