SCHEMBL29124110

SCHEMBL29124110

COc1ccc(C(=O)Nc2cccc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 1.00
▸ RAB9A P51151 5/20 1.00
▸ KMT2A Q03164 5/20 1.00
▸ POLB P06746 1/20 0.76
▸ F10 P00742 1/20 0.74
▸ ALDH1A1 P00352 5/20 0.72
▸ SMN1; SMN2 Q16637 2/20 0.72
▸ LMNA P02545 1/20 0.72
▸ CYP1A2 P05177 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ HDAC3 O15379 1/20 0.65
▸ HDAC4 P56524 1/20 0.65
▸ HDAC1 Q13547 1/20 0.65
▸ HDAC7 Q8WUI4 1/20 0.65
▸ HDAC2 Q92769 1/20 0.65
▸ HDAC10 Q969S8 1/20 0.65
▸ HDAC11 Q96DB2 1/20 0.65

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
SCHEMBL21829023 0.86 KMT2A (0.78) NPC1RAB9AKMT2APOLBALDH1A1
SCHEMBL25110121 0.85 RAB9A (0.73) NPC1RAB9AKMT2APOLBF10
SCHEMBL11732149 0.84 RAB9A (0.72) NPC1RAB9AKMT2APOLBF10
SCHEMBL11729390 0.84 KMT2A (0.72) NPC1RAB9AKMT2APOLBF10
SCHEMBL3679744 0.83 RAB9A (0.76) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL30735621 0.83 RAB9A (0.76) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL3821744 0.83 F10 (0.93) NPC1RAB9AKMT2AF10ALDH1A1
SCHEMBL26885232 0.83 NPC1 (0.81) NPC1RAB9AKMT2APOLBALDH1A1
SCHEMBL4642544 0.82 NPC1 (1.00) NPC1RAB9AKMT2APOLBCYP1A2
SCHEMBL30184438 0.82 NPC1 (1.00) NPC1RAB9AKMT2APOLBCYP1A2

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
CN-117229483-A Amide potassium complex for catalyzing lactide ring-opening polymerization and preparation method thereof 北京服装学院 2023-12-15 — — CN claimed
CN-117229483-A Amide potassium complex for catalyzing lactide ring-opening polymerization and preparation method thereof 北京服装学院 2023-12-15 — — CN disclosed
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