SCHEMBL10347327

SCHEMBL10347327

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 1/20 0.39
▸ CTNNB1 P35222 1/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HTT P42858 2/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ACACB O00763 2/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CA2 P00918 2/20 0.34
▸ HPGD P15428 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
SCHEMBL10347329 1.00 BCL9 (0.39) BCL9CTNNB1KMT2ARAB9AHTT
SCHEMBL10347541 0.96 KMT2A (0.37) BCL9CTNNB1KMT2ARAB9AHTT
SCHEMBL10347542 0.96 KMT2A (0.37) BCL9CTNNB1KMT2ARAB9AHTT
SCHEMBL10347544 0.96 KMT2A (0.37) BCL9CTNNB1KMT2ARAB9AHTT
SCHEMBL10347315 0.94 BCL9 (0.39) BCL9CTNNB1KMT2ARAB9AHTT
SCHEMBL10347314 0.94 BCL9 (0.39) BCL9CTNNB1KMT2ARAB9AHTT
SCHEMBL10347426 0.93 KMT2A (0.38) BCL9CTNNB1KMT2ARAB9AHCRTR1
SCHEMBL10347427 0.93 KMT2A (0.38) BCL9CTNNB1KMT2ARAB9AHCRTR1
SCHEMBL10347413 0.93 KMT2A (0.38) KMT2ARAB9ACYP2C9HCRTR1HCRTR2
SCHEMBL10347414 0.93 KMT2A (0.38) KMT2ARAB9ACYP2C9HCRTR1HCRTR2

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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