SCHEMBL5821804

SCHEMBL5821804

CC(C)(C)C(=O)OCn1cc(C=C2C(=O)Nc3ccccc32)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.64
NTRK1 P04629 1/20 0.59
MAP3K5 Q99683 1/20 0.59
KMT2A Q03164 11/20 0.58
MEN1 O00255 8/20 0.58
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
POLB P06746 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PTGS2 P35354 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
PRKCA P17252 1/20 0.45
PRKCE Q02156 1/20 0.45
RASGRP3 Q8IV61 1/20 0.45

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
SCHEMBL5821802 1.00 DHFR (0.64) DHFRNTRK1MAP3K5KMT2AMEN1
SCHEMBL5807046 0.89 DHFR (0.67) DHFRNTRK1MAP3K5KMT2AMEN1
SCHEMBL5817761 0.89 DHFR (0.67) DHFRNTRK1MAP3K5KMT2AMEN1
SCHEMBL5819467 0.82 DHFR (0.58) DHFRNTRK1MAP3K5KMT2AMEN1
SCHEMBL5819471 0.82 DHFR (0.58) DHFRNTRK1MAP3K5KMT2AMEN1
SCHEMBL5482789 0.81 KMT2A (0.66) DHFRNTRK1MAP3K5KMT2AMEN1
SCHEMBL5482792 0.81 KMT2A (0.66) DHFRNTRK1MAP3K5KMT2AMEN1
SCHEMBL5476060 0.81 KMT2A (0.77) DHFRNTRK1MAP3K5KMT2AMEN1
SCHEMBL5476058 0.81 KMT2A (0.77) DHFRNTRK1MAP3K5KMT2AMEN1
SCHEMBL5822283 0.80 KMT2A (0.75) DHFRNTRK1MAP3K5KMT2AMEN1

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
WO-2006105796-A1 NOVEL INDOLINONE DERIVATIVES LEO PHARMA A/S (DK) 2006-10-12 WO disclosed