SCHEMBL30183858

SCHEMBL30183858

COC(=O)c1cccc(NC(=O)C=C(C)C)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.77
▸ KMT2A Q03164 4/20 0.77
▸ RAB9A P51151 5/20 0.61
▸ ALDH1A1 P00352 3/20 0.60
▸ NPC1 O15118 3/20 0.58
▸ HIF1A Q16665 1/20 0.57
▸ MAPT P10636 5/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ TP53 P04637 2/20 0.56
▸ CYP1A2 P05177 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ PARP1 P09874 1/20 0.55
▸ PARP15 Q460N3 1/20 0.55
▸ PARP10 Q53GL7 1/20 0.55
▸ MAPK1 P28482 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ HTT P42858 1/20 0.53

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
SCHEMBL14880002 1.00 MEN1 (0.77) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL11754128 0.87 KMT2A (1.00) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL14879671 0.84 MEN1 (0.82) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL863169 0.82 RAB9A (0.71) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL6574403 0.80 KMT2A (0.65) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL11677217 0.80 MEN1 (0.74) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL11677222 0.80 MEN1 (0.74) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL12835093 0.80 ALDH1A1 (0.79) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL9312293 0.79 MEN1 (0.73) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL11654124 0.79 RAB9A (0.71) MEN1KMT2ARAB9AALDH1A1NPC1

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-115605476-A Substituted tricyclic compounds 鲁宾有限公司(IN) 2023-01-13 — — CN disclosed
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