SCHEMBL31026422

SCHEMBL31026422

COc1ccc(OB(O)O)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.44
▸ CYP2A6 P11509 2/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ OXTR P30559 1/20 0.36

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
SCHEMBL2201487 1.00 NNMT (0.44) NNMTCYP2A6MKNK1MKNK2KDM4E
SCHEMBL21801745 0.85 CA1 (0.41) NNMTCYP2A6KDM4EMAPTLMNA
SCHEMBL30501667 0.81 MAPT (0.49) MAPT
SCHEMBL17766744 0.80 ALDH1A1 (0.46) ALDH1A1
SCHEMBL15563753 0.80 KMT2A (0.42) NNMTHSD17B1HSD17B2MAPTLMNA
SCHEMBL3816388 0.79 NNMT (0.48) NNMTCYP2A6MKNK1MKNK2KDM4E
SCHEMBL29525223 0.79 NNMT (0.48) NNMTCYP2A6MKNK1MKNK2KDM4E
SCHEMBL38660384 0.78 CHRNB2 (0.37) CHRNB2CHRNA4
SCHEMBL2891613 0.78 CHRNB2 (0.37) CHRNB2CHRNA4
SCHEMBL5424020 0.76 KMT2A (0.42) CHRNB2CHRNA4MAPTMEN1KMT2A

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
CN-118388445-A Indazole ether compound and preparation method and application thereof 河北科技大学 2024-07-26 — — CN claimed
CN-118388445-A Indazole ether compound and preparation method and application thereof 河北科技大学 2024-07-26 — — CN disclosed
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