SCHEMBL29870987

SCHEMBL29870987

Fc1ccc(OCCOCc2ccccc2)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CTSV O60911 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RHEB Q15382 1/20 0.39
▸ FOXM1 Q08050 1/20 0.39
▸ APP P05067 2/20 0.38
▸ PPARG P37231 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
SCHEMBL26428048 1.00 MAOB (0.43) MAOBTDP1KDM4EMAPK1ALOX5
SCHEMBL8220968 0.88 MAOB (0.43) MAOBTDP1KDM4EMAPK1ALOX5
SCHEMBL30065009 0.86 MAOB (0.57) MAOBALOX5MAPTRAB9ASMN1; SMN2
SCHEMBL8251097 0.86 MAOB (0.57) MAOBALOX5MAPTRAB9ASMN1; SMN2
SCHEMBL27443252 0.82 TSHR (0.42) MAOBTDP1KDM4EMAPK1ALOX5
SCHEMBL13862125 0.79 MAOB (0.43) MAOBTDP1KDM4EMAPK1ALOX5
SCHEMBL34465802 0.79 MAOB (0.43) MAOBTDP1KDM4EMAPK1ALOX5
SCHEMBL5936645 0.79 MEN1 (0.53) MAOBTDP1KDM4EMAPK1ALOX5
SCHEMBL3120643 0.79 TSHR (0.50) MAOBNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3445766 0.79 MAOB (0.43) MAOBTDP1KDM4EMAPK1ALOX5

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
EP-4110777-A1 PYRROLOPYRIDINE AND IMIDAZOPYRIDINE ANTIVIRAL COMPOUNDS Katholieke Universiteit Leuven, K.U.Leuven R&D (BE) 2023-01-04 — — EP disclosed
CN-115175909-A Pyrrolopyridine and imidazopyridine antiviral compounds 鲁汶天主教大学 2022-10-11 — — CN disclosed
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