SCHEMBL2722136

SCHEMBL2722136

Cn1c(O)nc2cc(C(N)=O)ccc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
GLA P06280 1/20 0.55
TDP1 Q9NUW8 2/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.45
BRD4 O60885 1/20 0.45
BRPF1 P55201 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.42
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
TYK2 P29597 3/20 0.39
JAK3 P52333 3/20 0.39
AKR1B1 P15121 1/20 0.39
LCK P06239 1/20 0.39
FGFR1 P11362 1/20 0.39
CSNK2A2 P19784 1/20 0.38

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
SCHEMBL2723700 0.77 KDM4E (0.59) KDM4EGLATDP1NPC1RAB9A
SCHEMBL17950444 0.75 KDM4E (0.50) KDM4EGLATDP1NPC1RAB9A
SCHEMBL2722158 0.73 KMT2A (0.58) KDM4EGLATDP1NPC1RAB9A
SCHEMBL6922909 0.72 MAPK1 (0.51) KDM4EGLATDP1NPC1RAB9A
Ammonia Solution, Strong SCHEMBL27553000 0.71 KDM4E (0.46) KDM4EGLATDP1NPC1RAB9A
SCHEMBL2117475 0.70 ALDH1A1 (0.54) KDM4ETDP1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL31483762 0.70 PARP14 (0.44) KDM4EGLAALDH1A1
SCHEMBL2723566 0.70 KDM4E (0.49) KDM4EGLATDP1NPC1RAB9A
SCHEMBL30507791 0.69 KDM4E (0.50) KDM4EGLATDP1NPC1RAB9A
SCHEMBL2118762 0.69 ALDH1A1 (0.55) KDM4ETDP1NPC1RAB9AALDH1A1

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-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed