SCHEMBL29016221

SCHEMBL29016221

Cc1cc(C)c(C(=O)O)[nH]1.O=C1Cc2cc(Br)ccc2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.47
CMA1 P23946 1/20 0.47
GRIA1 P42261 2/20 0.43
CACNG8 Q8WXS5 2/20 0.43
TDP2 O95551 1/20 0.42
BRD4 O60885 1/20 0.40
IDO1 P14902 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
HBB P68871 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CRBN Q96SW2 1/20 0.39
EPHX2 P34913 1/20 0.39
RET P07949 1/20 0.39
GAA P10253 2/20 0.38
SMYD3 Q9H7B4 2/20 0.37
PKM P14618 2/20 0.37

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
SCHEMBL28607435 0.83 PDE3B (0.46) AHRGRIA1CACNG8MEN1KMT2A
SCHEMBL29016213 0.81 AHR (0.48) AHRCMA1GRIA1CACNG8TDP2
SCHEMBL28597925 0.81 AHR (0.43) AHRCMA1GRIA1CACNG8TDP2
SCHEMBL29016210 0.81 AHR (0.47) AHRCMA1GRIA1CACNG8TDP2
SCHEMBL28614212 0.79 SMN1; SMN2 (0.43) AHRCMA1GRIA1CACNG8TDP2
SCHEMBL6431 0.78 AHR (0.72) AHRCMA1GRIA1CACNG8TDP2
SCHEMBL28607810 0.78 AHR (0.47) AHRCMA1GRIA1CACNG8TDP2
SCHEMBL29016211 0.77 CRBN (0.53) AHRCMA1GRIA1CACNG8TDP2
SCHEMBL28606054 0.77 AHR (0.40) AHRCMA1GRIA1CACNG8TDP2
SCHEMBL28597906 0.76 EIF2AK2 (0.50) AHRCMA1TDP2HSD17B10CRBN

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
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed