SCHEMBL31237738

SCHEMBL31237738

COc1ccc(-c2ccc(-c3ccc(C(=N)N)s3)s2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 6/20 0.65
▸ KDM4E B2RXH2 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ GLA P06280 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ LMNA P02545 1/20 0.55
▸ PRSS1 P07477 1/20 0.49
▸ PRSS2 P07478 1/20 0.49
▸ PRSS3 P35030 1/20 0.49
▸ HSD17B2 P37059 5/20 0.48
▸ HSD17B1 P14061 3/20 0.48
▸ IKBKB O14920 1/20 0.47
▸ NQO2 P16083 2/20 0.46

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
SCHEMBL31237875 0.86 CYP1A1 (0.66) APPKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL13446070 0.82 APP (0.95) APPKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL24860541 0.81 KDM4E (0.66) APPKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL14705615 0.80 APP (0.91) APPKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL1181273 0.80 APP (1.00) APPKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL23566334 0.80 NQO2 (0.71) APPALDH1A1HPGDLMNAPRSS1
SCHEMBL14705443 0.78 APP (0.95) APPKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL23566269 0.78 PLAU (0.50) KDM4ESMN1; SMN2NPC1ALDH1A1GLA
SCHEMBL31237168 0.77 APP (0.54) APPKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL2544746 0.77 KDM4E (0.69) APPKDM4ESMN1; SMN2NPC1ALDH1A1

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-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 — — WO disclosed
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