SCHEMBL3785819

SCHEMBL3785819

CC(C)c1nc2ccccc2c(=O)n1N.CC(C)c1nc2ccccc2c(=O)n1NC(=O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 11/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL3765565 0.94 P2RX7 (0.48) P2RX7MEN1KMT2APOLBHDAC6
SCHEMBL3759804 0.85 HDAC6 (0.48) P2RX7POLBHDAC6SMN1; SMN2HTT
SCHEMBL3791796 0.85 HTT (0.53) MEN1KMT2ASMN1; SMN2KDM4EHTT
SCHEMBL3755499 0.84 P2RX7 (0.41) P2RX7KMT2APOLBHDAC6SMN1; SMN2
SCHEMBL3759965 0.83 P2RX7 (0.45) P2RX7KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL3761284 0.82 HTT (0.58) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL3759959 0.82 P2RX7 (0.41) P2RX7KMT2ASMN1; SMN2LMNA
SCHEMBL3785778 0.82 KMT2A (0.53) P2RX7KMT2AHTTALDH1A1LMNA
SCHEMBL3762001 0.81 KMT2A (0.50) P2RX7MEN1KMT2AHDAC6SMN1; SMN2
SCHEMBL3760532 0.79 ALDH1A1 (0.57) P2RX7MEN1KMT2AHTTALDH1A1

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-2010138828-A2 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 — — WO disclosed
Send feedback