SCHEMBL6970737

SCHEMBL6970737

[S]c1nnc(C2CCCCC2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ ADORA2A P29274 4/20 0.36
▸ ADORA2B P29275 3/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ADORA3 P0DMS8 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL13572996 0.81 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10APOBEC3G
SCHEMBL24317084 0.77 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10APOBEC3G
SCHEMBL17918659 0.74 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10APOBEC3G
SCHEMBL13512799 0.74 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10APOBEC3G
SCHEMBL15934084 0.71 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10APOBEC3G
SCHEMBL11327540 0.71 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10APOBEC3G
SCHEMBL6958862 0.69 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10APOBEC3G
SCHEMBL6958865 0.69 L3MBTL1 (0.37) KDM4EALDH1A1HPGDHSD17B10APOBEC3G
SCHEMBL21163695 0.68 ADORA2A (0.36) KDM4EALDH1A1HPGDHSD17B10APOBEC3G
SCHEMBL11458001 0.67 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10APOBEC3G

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 — — EP disclosed
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