SCHEMBL24809081

SCHEMBL24809081

Cc1cc(C(=O)Nc2cccc3cc(Br)ccc23)c2oc3ccccc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 3/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL24807651 0.82 HDAC1 (0.48) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL24809363 0.78 DHODH (0.49) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL24807657 0.71 TTR (0.49) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL24807652 0.70 AHR (0.44) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL28550557 0.69 CASP6 (0.62) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL21537703 0.69 DHODH (0.54) RAB9AKMT2ANPC1MEN1TP53
SCHEMBL21828982 0.68 PTGES (0.59) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL30827808 0.68 HDAC1 (0.54) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL27214907 0.68 HDAC1 (0.54) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL15503816 0.67 ALDH1A1 (0.73) RAB9AKMT2ANPC1ALDH1A1MEN1

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-2022267941-A1 ORGANOMETALLIC IRIDIUM COMPOUND 广东阿格蕾雅光电材料有限公司 2022-12-29 WO disclosed