SCHEMBL5316997

SCHEMBL5316997

COC(=O)c1ccc2c(c1)nc(N[C@H](C)C(C)C)n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
HDAC6 Q9UBN7 5/20 0.46
FGFR1 P11362 1/20 0.46
EHMT2 Q96KQ7 1/20 0.46
IDH1 O75874 4/20 0.45
CNR2 P34972 1/20 0.44
ITK Q08881 1/20 0.43
ROCK2 O75116 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42

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
SCHEMBL5316684 0.87 HCAR3 (0.50) HDAC6EHMT2IDH1HPGDHDAC3
SCHEMBL408881 0.83 KDM4E (0.53) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL4259457 0.80 KDM4E (0.56) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL29989068 0.78 RAB9A (0.72) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL31489 0.78 RAB9A (0.72) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL28439988 0.77 KDM4E (0.56) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL19029395 0.77 KDM4E (0.56) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL30897550 0.77 KDM4E (0.56) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL11947887 0.77 KDM4E (0.56) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL5315571 0.76 KDM4E (0.52) KDM4ENPC1LMNAMAPTRAB9A

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-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 WO disclosed