SCHEMBL24313613

SCHEMBL24313613

CC(C)Oc1ccc(C(C)(C)C)cc1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ATM Q13315 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
XDH P47989 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL29469956 1.00 CA1 (0.39) CA1CA2CA9ATMMEN1
SCHEMBL17395245 0.84 ATM (0.38) CA1CA2CA9ATMMEN1
SCHEMBL16606235 0.82 CA1 (0.46) CA1CA2CA9ATMMEN1
SCHEMBL12313577 0.81 KDM4E (0.49) CA1CA2CA9ATML3MBTL1
SCHEMBL13019327 0.79 CA1 (0.40) CA1CA2CA9ATMMEN1
SCHEMBL1506544 0.79 ALDH1A1 (0.43) CA1CA2CA9MEN1KMT2A
SCHEMBL31377070 0.79 ALDH1A1 (0.43) CA1CA2CA9MEN1KMT2A
SCHEMBL7811535 0.78 ALOX5AP (0.40) CA1CA2CA9ATML3MBTL1
SCHEMBL7836761 0.78 CSNK2A1 (0.53) CA1CA2CA9MEN1KMT2A
SCHEMBL7849070 0.78 KMT2A (0.43) CA1CA2CA9ATMMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed
WO-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed