SCHEMBL22280554

SCHEMBL22280554

CC(C)(C)c1cccc(Nc2ccc(C(N)CNO)cn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
TYK2 P29597 1/20 0.40
PDE4D Q08499 1/20 0.40
MAPT P10636 2/20 0.39
EGFR P00533 1/20 0.39
TNNI3K Q59H18 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRM4 Q14833 1/20 0.36
BRAF P15056 2/20 0.36
AURKA O14965 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RPS6KB1 P23443 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
SCHEMBL22280630 0.77 GRM5 (0.41) KDM4EMAPTMEN1KMT2AHDAC3
SCHEMBL12590937 0.72 KDM4E (0.59) KDM4EGAAMAPTEGFRMEN1
SCHEMBL12590929 0.72 CCNK (0.36) GAAMAPTMEN1KMT2A
SCHEMBL22265526 0.71 KDM4E (0.46) KDM4EGAATYK2PDE4DMAPT
SCHEMBL22265527 0.71 KDM4E (0.46) KDM4EGAATYK2PDE4DMAPT
SCHEMBL22280476 0.70 AURKA (0.45) KDM4ETYK2MAPTMEN1KMT2A
SCHEMBL22265306 0.69 EGFR (0.47) KDM4EGAATYK2PDE4DMAPT
SCHEMBL22280456 0.68 IGF1R (0.33)
SCHEMBL28416838 0.68 GRM4 (0.52) KDM4ETYK2PDE4DMAPTEGFR
SCHEMBL29408383 0.68 GRM4 (0.52) KDM4ETYK2PDE4DMAPTEGFR

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-2020154431-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY LYNCH KEVIN R (US) 2020-07-30 WO disclosed