SCHEMBL10347542

SCHEMBL10347542

CCCC(=O)Oc1ccc(CCC2CCC(C3CCC(CCC)CC3)CC2)nc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ BCL9 O00512 1/20 0.37
▸ CTNNB1 P35222 1/20 0.37
▸ HTT P42858 2/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ ACACB O00763 2/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ CA2 P00918 2/20 0.32
▸ TLR4 O00206 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL10347544 1.00 KMT2A (0.37) KMT2ARAB9ABCL9CTNNB1HTT
SCHEMBL10347541 1.00 KMT2A (0.37) KMT2ARAB9ABCL9CTNNB1HTT
SCHEMBL10347327 0.96 BCL9 (0.39) KMT2ARAB9ABCL9CTNNB1HTT
SCHEMBL10347329 0.96 BCL9 (0.39) KMT2ARAB9ABCL9CTNNB1HTT
SCHEMBL10347399 0.94 KMT2A (0.36) KMT2ARAB9ABCL9CTNNB1HTT
SCHEMBL10347402 0.94 KMT2A (0.36) KMT2ARAB9ABCL9CTNNB1HTT
SCHEMBL10347400 0.94 KMT2A (0.36) KMT2ARAB9ABCL9CTNNB1HTT
SCHEMBL10347379 0.92 KMT2A (0.36) KMT2ARAB9AHTTHCRTR1HCRTR2
SCHEMBL10347380 0.92 KMT2A (0.36) KMT2ARAB9AHTTHCRTR1HCRTR2
SCHEMBL10347378 0.92 KMT2A (0.36) KMT2ARAB9AHTTHCRTR1HCRTR2

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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