SCHEMBL31082813

SCHEMBL31082813

C=C(Br)CC(C(=O)OC)c1ccc(Br)cn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MAPT P10636 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ S1PR2 O95136 2/20 0.33
▸ S1PR4 O95977 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33

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
SCHEMBL17479509 0.89 RAB9A (0.35) RAB9ANPC1TSHRMAPTALDH1A1
SCHEMBL1970685 0.78 RAB9A (0.37) RAB9ANPC1TSHRMAPTALDH1A1
SCHEMBL17295745 0.77 RAB9A (0.39) RAB9ANPC1TSHRALDH1A1SIRT2
SCHEMBL17477792 0.77 MEN1 (0.45) RAB9ANPC1ALDH1A1HSD17B10SIRT2
SCHEMBL17479470 0.76 RAB9A (0.36) RAB9ANPC1TSHRMAPTALDH1A1
SCHEMBL19874327 0.75 RAB9A (0.45) RAB9ANPC1ALDH1A1KMT2A
SCHEMBL19874404 0.75 RAB9A (0.43) RAB9ANPC1ALDH1A1KMT2A
SCHEMBL23982614 0.75 KDM4E (0.41) RAB9ANPC1TSHRMAPTALDH1A1
SCHEMBL19874340 0.74 RAB9A (0.34) RAB9ANPC1TSHRMAPTALDH1A1
SCHEMBL19874339 0.74 RAB9A (0.34) RAB9ANPC1TSHRMAPTALDH1A1

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-2024182788-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2024-09-06 — — WO disclosed
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