SCHEMBL9259738

SCHEMBL9259738

ONCc1cnc(-c2ccccc2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.55
HDAC2 Q92769 5/20 0.55
HDAC4 P56524 5/20 0.55
HDAC6 Q9UBN7 5/20 0.55
HDAC3 O15379 4/20 0.55
HDAC7 Q8WUI4 4/20 0.55
HDAC10 Q969S8 4/20 0.55
HDAC11 Q96DB2 4/20 0.55
HDAC8 Q9BY41 4/20 0.55
HDAC9 Q9UKV0 4/20 0.55
HDAC5 Q9UQL6 4/20 0.55
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
RAB9A P51151 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MITF O75030 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 SCHEMBL9264018 0.98 HDAC1 (0.53) HDAC1HDAC2HDAC4HDAC6HDAC3
SCHEMBL24784588 0.84 HDAC1 (0.55) HDAC1HDAC2HDAC4HDAC6HDAC3
SCHEMBL9509099 0.80 HDAC1 (0.52) HDAC1HDAC2HDAC4HDAC6HDAC3
SCHEMBL10184678 0.77 HDAC1 (0.56) HDAC1HDAC2HDAC4HDAC6HDAC3
SCHEMBL4278243 0.77 ALOX15 (0.53) HDAC1HDAC2HDAC4HDAC6HDAC3
SCHEMBL12827256 0.77 CYP11B1 (0.55) HDAC1HDAC2HDAC4HDAC6HDAC3
SCHEMBL5542313 0.77 ALOX15 (0.53) HDAC1HDAC2HDAC4HDAC6HDAC3
SCHEMBL9863750 0.77 ALOX15 (0.53) HDAC1HDAC2HDAC4HDAC6HDAC3
SCHEMBL4652514 0.77 ALOX15 (0.53) HDAC1HDAC2HDAC4HDAC6HDAC3
Hydrochloric Acid SCHEMBL9512459 0.75 ALOX15 (0.52) HDAC1HDAC2HDAC4HDAC6HDAC3

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-5464849-A N-hydroxyurea derivatives as antiallergy and antiinflammatory agents PFIZER INC. (US) 1995-11-07 US disclosed