SCHEMBL6913495

SCHEMBL6913495

Cc1ccc(N2CCN(C(=O)c3cccc(-c4ccc(C(=O)C(F)(F)F)s4)c3)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.51
HDAC1 Q13547 2/20 0.51
MEN1 O00255 2/20 0.50
CYP2C9 P11712 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPGD P15428 1/20 0.47
HDAC4 P56524 2/20 0.46
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MGLL Q99685 1/20 0.44
SLC6A7 Q99884 1/20 0.43

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
SCHEMBL2225582 0.87 HDAC6 (0.52) HDAC6HDAC1MEN1KMT2AHDAC4
SCHEMBL3090259 0.79 HDAC6 (0.65) HDAC6HDAC1MEN1KMT2AHPGD
SCHEMBL13838101 0.78 TIPARP (0.46) SLC6A7
SCHEMBL2225623 0.75 HDAC6 (0.46) HDAC6HDAC1HDAC4
SCHEMBL13115595 0.74 KDM4E (0.67) MEN1CYP2C9KMT2ACYP1A2CYP2C19
SCHEMBL3575181 0.72 SLC6A7 (0.69) MEN1CYP2C9KMT2ACYP1A2CYP2C19
SCHEMBL23244365 0.71 ME2 (0.66) MEN1KMT2ALMNAALDH1A1MGLL
SCHEMBL1108658 0.70 KDM4E (0.62) MEN1CYP2C9KMT2ACYP1A2CYP2C19
SCHEMBL1108662 0.70 CYP1A2 (0.64) MEN1CYP2C9KMT2ACYP1A2CYP2C19
SCHEMBL2201554 0.70 HDAC6 (0.57) HDAC6HDAC1MEN1CYP2C9KMT2A

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-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed