SCHEMBL8213112

SCHEMBL8213112

Cc1cc2cc(C(=N)NO)sc2cc1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.53
HDAC3 O15379 5/20 0.53
HDAC4 P56524 5/20 0.53
HDAC7 Q8WUI4 5/20 0.53
HDAC2 Q92769 5/20 0.53
HDAC10 Q969S8 5/20 0.53
HDAC11 Q96DB2 5/20 0.53
HDAC8 Q9BY41 5/20 0.53
HDAC6 Q9UBN7 5/20 0.53
HDAC9 Q9UKV0 5/20 0.53
HDAC5 Q9UQL6 5/20 0.53
STING1 Q86WV6 5/20 0.44
GPR35 Q9HC97 1/20 0.33
PLAU P00749 1/20 0.33
GAA P10253 1/20 0.32
F9 P00740 2/20 0.31
F10 P00742 1/20 0.31
LMNA P02545 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
SCHEMBL12926164 0.80 HDAC1 (0.78) HDAC1HDAC3HDAC4HDAC7HDAC2
Hydrochloric Acid SCHEMBL10400713 0.79 GPR35 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3060771 0.78 HDAC3 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
Hydrochloric Acid SCHEMBL4457221 0.77 HDAC3 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10400025 0.73 HDAC1 (0.66) HDAC1HDAC3HDAC4HDAC7HDAC2
Hydrochloric Acid SCHEMBL7274153 0.72 NPC1 (0.36) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL20022320 0.72 DYRK1A (0.58) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10221595 0.72 GPR35 (0.63) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13556331 0.71 HDAC1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7277696 0.70 STING1 (0.59) HDAC1HDAC3HDAC4HDAC7HDAC2

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
US-6110471-A ADMINISTERING PHOSPHODIESTERASE FOR INHIBITION OF THE CYCLES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-08-29 US claimed