SCHEMBL10347348

SCHEMBL10347348

CCCCCC(=O)Oc1ccc(CC[C@H]2CC[C@H]([C@H]3CC[C@H](CCC)CC3)CC2)nc1.CCCCCC(=O)Oc1ccc(CC[C@H]2CC[C@H]([C@H]3CC[C@H](CCCC)CC3)CC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CNR2 P34972 4/20 0.35
▸ CNR1 P21554 3/20 0.35
▸ CA2 P00918 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ HRH1 P35367 1/20 0.34

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
SCHEMBL10347358 0.97 KMT2A (0.35) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347175 0.96 KMT2A (0.40) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347173 0.96 KMT2A (0.40) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347172 0.96 KMT2A (0.40) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347270 0.95 KMT2A (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347549 0.95 KMT2A (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347547 0.95 KMT2A (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347269 0.95 KMT2A (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347176 0.94 KMT2A (0.38) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347174 0.94 KMT2A (0.38) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1

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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