SCHEMBL27590353

SCHEMBL27590353

C=C(C(=O)O)c1ccc(C)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MYC P01106 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ RXRA P19793 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HSP90AA1 P07900 1/20 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
SCHEMBL5448075 0.81 HPGD (0.46) KMT2AL3MBTL1POLBKDM4EMEN1
SCHEMBL29416536 0.81 HPGD (0.46) KMT2AL3MBTL1POLBKDM4EMEN1
SCHEMBL29775265 0.80 CSNK2A1 (0.55) SMN1; SMN2NPC1RAB9ACSNK2A1KMT2A
SCHEMBL211284 0.80 CSNK2A1 (0.55) SMN1; SMN2NPC1RAB9ACSNK2A1KMT2A
SCHEMBL27774516 0.78 MAPT (0.44) SMN1; SMN2NPC1RAB9ACSNK2A1KMT2A
SCHEMBL28075439 0.77 MEN1 (0.53) SMN1; SMN2NPC1CSNK2A1KMT2APOLB
SCHEMBL12121788 0.76 NPC1 (0.41) SMN1; SMN2NPC1RAB9ATDP1CSNK2A1
SCHEMBL1329346 0.76 CYP2A6 (0.42) SMN1; SMN2NPC1RAB9ACSNK2A1KMT2A
SCHEMBL21187937 0.76 RAB9A (0.37) SMN1; SMN2NPC1RAB9ATDP1KMT2A
SCHEMBL7017242 0.75 RAB9A (0.41) SMN1; SMN2NPC1RAB9ACSNK2A1KMT2A

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-1525957-A Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis ������ҩ�����޹�˾ 2004-09-01 — — CN disclosed
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