SCHEMBL6926317

SCHEMBL6926317

O=Cc1nc2cccc(Cl)c2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.51
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX5 P09917 1/20 0.39
PARP1 P09874 2/20 0.36
AKR1B1 P15121 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
LMNA P02545 2/20 0.34

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
SCHEMBL6928315 0.79 MAPT (0.39) PSMB8TDP1MEN1KMT2AALDH1A1
SCHEMBL1851438 0.75 PSMB8 (0.59) PSMB8TDP1MEN1KMT2AALDH1A1
SCHEMBL18791158 0.73 PSMB8 (0.58) PSMB8TDP1MEN1KMT2AALDH1A1
SCHEMBL10473305 0.72 CA2 (0.56) PSMB8TDP1KMT2AALOX5LMNA
SCHEMBL3391827 0.72 PSMB8 (0.56) PSMB8TDP1ALDH1A1ALOX5PARP1
SCHEMBL2749435 0.72 PSMB8 (0.56) PSMB8TDP1MEN1KMT2AALDH1A1
SCHEMBL9676001 0.72 PSMB8 (0.56) PSMB8TDP1ALDH1A1ALOX5HDAC3
SCHEMBL25425575 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL221982 0.69 PSMB8 (0.53) PSMB8TDP1MEN1KMT2AALDH1A1
SCHEMBL29954323 0.69 PSMB8 (0.53) PSMB8TDP1MEN1KMT2AALDH1A1

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-2011109551-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-09-09 WO disclosed