SCHEMBL23739756

SCHEMBL23739756

CNC(=O)C(CCC=O)N1Cc2c(OCCCC(=O)N3CCN(c4ccccc4)CC3)cccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ HTT P42858 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ POLB P06746 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ LMNA P02545 3/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38

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
SCHEMBL23739663 0.87 MAPT (0.48) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL23739632 0.85 LMNA (0.36) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL23739667 0.84 POLB (0.35) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL23739880 0.83 ALDH1A1 (0.47) MAPTSMN1; SMN2KMT2AMEN1HTT
SCHEMBL23739890 0.82 POLB (0.35) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL24572202 0.82 POLB (0.35) MAPTSMN1; SMN2KMT2AMEN1HTT
SCHEMBL23739465 0.81 MAPT (0.51) MAPTSMN1; SMN2KMT2AMEN1HTT
SCHEMBL23739899 0.81 POLB (0.34) MAPTSMN1; SMN2KMT2AMEN1GAA
SCHEMBL23739521 0.81 POLB (0.35) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL24113906 0.81 CRBN (0.41) MAPTSMN1; SMN2NPC1RAB9AKMT2A

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
EP-3862348-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-08-11 — — EP disclosed
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