SCHEMBL17656455

SCHEMBL17656455

CC(C)Cn1[nH]c(=O)c2c(Nc3ccc(O)cc3)n(Cc3ccc(C(F)(F)F)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
MTOR P42345 1/20 0.35
ADRA2A P08913 1/20 0.35
P2RX3 P56373 1/20 0.35
KCNQ3 O43525 2/20 0.35
KCNQ2 O43526 2/20 0.35
KCNQ4 P56696 2/20 0.35
KCNQ5 Q9NR82 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
DAO P14920 1/20 0.33
HTT P42858 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL13334342 0.81 PDE1A (0.41) KMT2AL3MBTL1LMNAMTORADRA2A
SCHEMBL9608310 0.75 PDE1B (0.41) KMT2AL3MBTL1LMNAADRA2AALDH1A1
SCHEMBL13334360 0.73 LMNA (0.38) KMT2AL3MBTL1LMNAMTORKCNQ3
SCHEMBL2455942 0.72 PDE1B (0.48) ADRA2AP2RX3ALDH1A1KDM4EMAPT
SCHEMBL16378553 0.71 PDE4A (0.38) KMT2AL3MBTL1LMNAADRA2AP2RX3
SCHEMBL13334441 0.70 PDE1A (0.41) ADRA2AP2RX3PDE9APOLBCYP1A2
SCHEMBL9608344 0.67 MAPT (0.34) KMT2AL3MBTL1LMNAKCNQ3KCNQ2
SCHEMBL2460367 0.66 PDE1A (0.45) KMT2AADRA2AP2RX3ALDH1A1KDM4E
SCHEMBL9608345 0.66 PDE1B (0.35) L3MBTL1LMNAADRA2AP2RX3MAPT
SCHEMBL9608307 0.66 PDE1B (0.48) ALDH1A1KDM4EMAPTPDE9APOLB

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
EP-2367428-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2016-04-06 EP disclosed