SCHEMBL8315255

SCHEMBL8315255

CCn1cc(C=CC(=O)NC2(CC)CC(=O)N2)nc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.38
HDAC8 Q9BY41 11/20 0.38
HDAC6 Q9UBN7 11/20 0.38
HDAC3 O15379 6/20 0.38
HDAC4 P56524 6/20 0.38
HDAC7 Q8WUI4 6/20 0.38
HDAC2 Q92769 6/20 0.38
HDAC10 Q969S8 6/20 0.38
HDAC11 Q96DB2 6/20 0.38
HDAC9 Q9UKV0 6/20 0.38
HDAC5 Q9UQL6 6/20 0.38
ATM Q13315 1/20 0.33
BRD4 O60885 1/20 0.32
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31

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
Hydrochloric Acid SCHEMBL8316038 0.75 SMN1; SMN2 (0.48) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL8316036 0.75 SMN1; SMN2 (0.48) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8311908 0.74 KDM1A (0.37) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL4882825 0.66 NPC1 (0.49) BRD4NPC1ALDH1A1LMNAPOLB
SCHEMBL4812511 0.62 NR4A2 (0.43) BRD4
SCHEMBL8312511 0.60 ALDH1A1 (0.32) ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8316741 0.59 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL5666175 0.59 P2RX7 (0.46) ALDH1A1
Hydrochloric Acid SCHEMBL8316739 0.59 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL6265796 0.59 TLR8 (0.51) BRD4NPC1ALDH1A1LMNATHRB

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
EP-0443588-B1 Condensed thiazole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-23 EP claimed