SCHEMBL13634853

SCHEMBL13634853

COC[C@H]1CCCN1Cc1ccc(NC(=O)c2csc(N3CCC(O)CC3)n2)c(C(=O)NC2CCOCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
S1PR1 P21453 1/20 0.42
HDAC1 Q13547 1/20 0.42
DNM1L O00429 1/20 0.40
PIM1 P11309 2/20 0.38
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
PDE4B Q07343 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MCHR1 Q99705 1/20 0.36
OGA O60502 1/20 0.36
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL13634649 0.93 S1PR1 (0.42) HDAC8HDAC6S1PR1HDAC1DNM1L
SCHEMBL13634686 0.89 HDAC8 (0.47) HDAC8HDAC6S1PR1HDAC1PIM1
SCHEMBL13270431 0.87 S1PR1 (0.38) HDAC8HDAC6S1PR1HDAC1DNM1L
SCHEMBL15888674 0.86 S1PR1 (0.38) HDAC8HDAC6S1PR1HDAC1DNM1L
SCHEMBL13638916 0.81 HDAC8 (0.43) HDAC8HDAC6S1PR1HDAC1
SCHEMBL13634729 0.80 S1PR1 (0.45) HDAC8HDAC6S1PR1HDAC1
SCHEMBL13634899 0.80 PDE4B (0.43) DNM1LPIM1PDE4BMCHR1KMT2A
SCHEMBL13634851 0.80 PDE4B (0.44) DNM1LPIM1PDE4BMCHR1KMT2A
SCHEMBL13634557 0.79 S1PR1 (0.42) HDAC8HDAC6S1PR1HDAC1
SCHEMBL13634660 0.79 IRAK4 (0.39) DNM1LPIM1PDE4BIRAK4MCHR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed