SCHEMBL10347174

SCHEMBL10347174

CCCCCC1CCC(C2CCC(CCc3ccc(OC(=O)CCCC)cn3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ITGB3 P05106 5/20 0.37
▸ ITGA2B P08514 5/20 0.37
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ ITGAV P06756 1/20 0.33
▸ CHRM2 P08172 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
SCHEMBL10347176 1.00 KMT2A (0.38) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD
SCHEMBL10347171 1.00 KMT2A (0.38) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD
SCHEMBL10347175 0.98 KMT2A (0.40) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD
SCHEMBL10347173 0.98 KMT2A (0.40) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD
SCHEMBL10347172 0.98 KMT2A (0.40) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD
SCHEMBL10347580 0.96 KMT2A (0.39) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD
SCHEMBL10347358 0.95 KMT2A (0.35) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD
SCHEMBL10347189 0.95 ITGB3 (0.36) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD
SCHEMBL10347161 0.95 KMT2A (0.42) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD
SCHEMBL10347164 0.95 KMT2A (0.42) KMT2ASMN1; SMN2ITGB3ITGA2BHPGD

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
EP-0365641-A1 PYRIDINE DERIVATIVES MERCK PATENT GmbH (DE) 1990-05-02 — — EP disclosed
WO-1989010356-A1 PYRIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-11-02 — — WO disclosed
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