SCHEMBL22280478

SCHEMBL22280478

CC(C)(C)c1cccc(Nc2ccc(-c3ncon3)cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.41
EGFR P00533 1/20 0.41
TNNI3K Q59H18 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
CTSC P53634 8/20 0.39
FLT3 P36888 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TYK2 P29597 1/20 0.37
PDE4D Q08499 1/20 0.37
GRM4 Q14833 1/20 0.37
KDR P35968 1/20 0.37
KCNK18 Q7Z418 1/20 0.37
RAB9A P51151 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
SCHEMBL12449585 0.76 KIF11 (0.49) MAPTABCG2
SCHEMBL22280484 0.73 NR1H4 (0.44) MAPTMEN1KMT2AFLT3
SCHEMBL22280449 0.73 NR1H4 (0.44) MAPTMEN1KMT2AFLT3
Hydrochloric Acid SCHEMBL22265521 0.72 NR1H4 (0.43) MAPTMEN1KMT2AFLT3
SCHEMBL22265306 0.71 EGFR (0.47) KDM4EGAAMAPTEGFRTNNI3K
SCHEMBL22265526 0.70 KDM4E (0.46) KDM4EGAAMAPTEGFRTNNI3K
SCHEMBL22265527 0.70 KDM4E (0.46) KDM4EGAAMAPTEGFRTNNI3K
SCHEMBL493641 0.70 NPC1 (0.47) KDM4EGAAMAPTKMT2AALDH1A1
SCHEMBL29408383 0.69 GRM4 (0.52) KDM4EMAPTEGFRTNNI3KMEN1
SCHEMBL28416838 0.69 GRM4 (0.52) KDM4EMAPTEGFRTNNI3KMEN1

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