SCHEMBL25522331

SCHEMBL25522331

CC(C)c1c(O)cc(-c2cc(F)c3ncccc3c2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 11/20 0.50
▸ KDM4E B2RXH2 10/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAD52 P43351 1/20 0.41
▸ UBE2N P61088 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ MET P08581 3/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ COMT P21964 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ METAP2 P50579 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ MPI P34949 1/20 0.38

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
SCHEMBL25523414 0.96 KDM4E (0.51) L3MBTL1KDM4ERAB9ANPC1RAD52
SCHEMBL25521795 0.83 KDM4E (0.48) L3MBTL1KDM4ERAB9ANPC1RAD52
SCHEMBL25522210 0.78 KDM4E (0.42) L3MBTL1KDM4ERAB9ANPC1
SCHEMBL25521549 0.77 DYRK1A (0.50) L3MBTL1KDM4ERAB9ANPC1RAD52
SCHEMBL25522207 0.76 ABCG2 (0.40) L3MBTL1KDM4ERAB9ANPC1
SCHEMBL25522347 0.76 KDM4E (0.48) L3MBTL1KDM4ERAB9ANPC1RAD52
SCHEMBL25521665 0.74 RPS6KA3 (0.33) ADORA1
SCHEMBL25523475 0.74 KDM4E (0.44) L3MBTL1KDM4ERAB9ANPC1RAD52
SCHEMBL25521674 0.73 PDE4D (0.46) L3MBTL1KDM4ERAB9ANPC1RAD52
SCHEMBL12026641 0.73 MET (0.49) KDM4EMETMMP2TSHRHSP90AA1

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-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 — — WO disclosed
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