SCHEMBL30775035

SCHEMBL30775035

COC(=O)c1ncccc1-c1ncccc1C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
TDP2 O95551 2/20 0.46
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 2/20 0.43
SMO Q99835 2/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.42
TRPV1 Q8NER1 3/20 0.41
BRD4 O60885 1/20 0.40
IDO1 P14902 2/20 0.40
MAP2K1 Q02750 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
PARP1 P09874 1/20 0.39

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
SCHEMBL16040561 0.85 L3MBTL1 (0.48) L3MBTL1TDP2ALDH1A1HPGDKDM4E
SCHEMBL69177 0.85 L3MBTL1 (0.64) L3MBTL1TDP2ALDH1A1HPGDKDM4E
SCHEMBL31347575 0.83 L3MBTL1 (0.62) L3MBTL1ALDH1A1KDM4EPOLBBRD4
SCHEMBL128711 0.83 L3MBTL1 (0.62) L3MBTL1ALDH1A1KDM4EPOLBBRD4
SCHEMBL17263271 0.81 L3MBTL1 (0.45) L3MBTL1TDP2ALDH1A1HPGDKDM4E
SCHEMBL30956555 0.79 L3MBTL1 (0.45) L3MBTL1TDP2ALDH1A1HPGDKDM4E
SCHEMBL7812554 0.79 L3MBTL1 (0.57) L3MBTL1ALDH1A1KDM4EMAP2K1ALOX15
SCHEMBL698991 0.78 L3MBTL1 (0.55) L3MBTL1ALDH1A1HPGDKDM4EKMT2A
SCHEMBL28479405 0.77 L3MBTL1 (0.46) L3MBTL1TDP2ALDH1A1HPGDKDM4E
SCHEMBL25307003 0.75 L3MBTL1 (0.53) L3MBTL1ALDH1A1HPGDKDM4EPOLB

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
CN-111315734-B Substituted 2-azabicyclo [3.1.1] heptane and 2-azabicyclo [3.2.1] octane derivatives as orexin receptor antagonists 克罗诺斯治疗有限公司 2024-03-08 CN disclosed