SCHEMBL23877206

SCHEMBL23877206

C=Nc1ncccc1/C=N\CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.32
MET P08581 3/20 0.32
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9964996 0.77 ALDH1A1 (0.35) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL15088135 0.71 ALDH1A1 (0.37) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL7521680 0.70 NPC1 (0.44) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL18760647 0.70 PLAU (0.33) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL19275524 0.70 PLAU (0.34) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL3731779 0.69 NR4A1 (0.50) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL11227025 0.69 NR4A1 (0.50) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL25375145 0.68 NPC1 (0.45) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL7101276 0.67 CA12 (0.63) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL16317121 0.67 CA12 (0.63) KDM4EMAPTNPC1RAB9AALDH1A1

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-2021194914-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2021-09-30 WO disclosed