SCHEMBL27913367

SCHEMBL27913367

CNC1(c2nc(-c3ccccc3)cs2)CCN(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
HDAC1 Q13547 1/20 0.51
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 4/20 0.44
LMNA P02545 2/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
AR P10275 3/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 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
SCHEMBL27931529 0.89 CNR1 (0.49) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL27931366 0.86 CNR1 (0.47) RAB9ASMN1; SMN2NPC1LMNACNR1
SCHEMBL2227488 0.78 HDAC4 (0.48) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL2227279 0.78 HDAC4 (0.58) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL27913332 0.76 DRD2 (0.40) HDAC1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL6183368 0.70 OPRM1 (0.56) DPP4
SCHEMBL14367714 0.69 ALDH1A1 (0.50) RAB9ASMN1; SMN2NPC1LMNAAR
SCHEMBL14183837 0.69 SMN1; SMN2 (0.72) RAB9ASMN1; SMN2NPC1LMNAAR
SCHEMBL2224460 0.67 KCNH2 (0.53) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL15385480 0.66 ELOVL1 (0.49) HDAC4HDAC7HDAC8HDAC6HDAC9

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
CN-103221047-A Compounds and methods TEMPERO PHARMACEUTICALS INC 2013-07-24 CN disclosed