SCHEMBL31048985

SCHEMBL31048985

O=C(NO)c1cc(F)c(Br)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.56
HDAC1 Q13547 15/20 0.56
HDAC3 O15379 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC8 Q9BY41 5/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ACLY P53396 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
IDO1 P14902 1/20 0.36
ALOX15 P16050 1/20 0.36
CA9 Q16790 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL31174965 0.81 TTR (0.52) ACLYCA12CA1CA9HSD17B10
SCHEMBL31049112 0.81 TTR (0.52) ACLYCA12CA1CA9HSD17B10
SCHEMBL31049040 0.81 CES2 (0.35) HDAC6HDAC1ALOX15
SCHEMBL17041582 0.79 CA5A (0.39) HDAC6HDAC1ALOX15
SCHEMBL31049141 0.79 KDM4E (0.47) ACLYCA12CA1CA9
SCHEMBL31048991 0.76 HDAC1 (0.36) HDAC6HDAC1HDAC3HDAC2
SCHEMBL7799136 0.76 HDAC6 (0.69) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL13485779 0.76 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL27026775 0.71 KDM4E (0.55) HDAC6HDAC1CA1CA9
SCHEMBL11797156 0.70 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC2HDAC8

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
WO-2024167922-A2 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-08-15 WO disclosed