SCHEMBL8700012

SCHEMBL8700012

N=C(N)NC(=O)c1cccc(-c2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 3/20 0.54
SCN9A Q15858 4/20 0.47
PRMT5 O14744 4/20 0.46
WDR77 Q9BQA1 4/20 0.46
SIRT2 Q8IXJ6 2/20 0.46
CNR1 P21554 1/20 0.46
SCN5A Q14524 2/20 0.45
CHEK2 O96017 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42

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 SCHEMBL8703710 0.99 KAT6A (0.53) KAT6ASCN9APRMT5WDR77SIRT2
SCHEMBL8706110 0.85 ROCK1 (0.41) KAT6ASIRT2
Hydrochloric Acid SCHEMBL8700357 0.84 ROCK1 (0.40) KAT6ASIRT2
SCHEMBL5175529 0.83 HDAC8 (0.62) KAT6AHDAC8
Hydrochloric Acid SCHEMBL8705323 0.82 HDAC8 (0.60) KAT6AHDAC8
SCHEMBL28087757 0.82 KAT6A (0.59) KAT6ASCN9APRMT5WDR77SIRT2
SCHEMBL21884657 0.81 P2RX7 (0.44) KAT6ACHEK2HDAC8
SCHEMBL167080 0.80 CHEK2 (0.57) KAT6ACNR1CHEK2
SCHEMBL30036208 0.80 CHEK2 (0.57) KAT6ACNR1CHEK2
SCHEMBL8690577 0.80 KAT6A (0.42) KAT6ASCN9A

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-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed