SCHEMBL28278989

SCHEMBL28278989

CC1c2cc(C(=O)N3Cc4ccccc4C[C@H]3C)ccc2CCN1C(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.56
▸ POLB P06746 1/20 0.56
▸ NAMPT P43490 4/20 0.47
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ BCL2 P10415 3/20 0.43
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.42

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
SCHEMBL28280227 0.85 GRM5 (0.42) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL29590211 0.84 RAB9A (0.62) NPC1NAMPTRAB9ASMN1; SMN2TP53
SCHEMBL29589890 0.82 NAMPT (0.59) NPC1NAMPTRAB9ASMN1; SMN2TP53
SCHEMBL23327029 0.79 NPC1 (0.68) NPC1POLBRAB9ASMN1; SMN2TP53
SCHEMBL23327023 0.79 NPC1 (0.55) NPC1POLBNAMPTRAB9ASMN1; SMN2
SCHEMBL29591192 0.75 BCL2 (0.51) NPC1POLBNAMPTRAB9ASMN1; SMN2
SCHEMBL29587968 0.73 NAMPT (0.57) NAMPTBCL2
SCHEMBL29590466 0.72 HSP90AA1 (0.47) NPC1NAMPTSMN1; SMN2TP53KMT2A
SCHEMBL29590775 0.72 HSP90AA1 (0.47) NPC1NAMPTSMN1; SMN2TP53KMT2A
SCHEMBL16416972 0.72 HSP90AA1 (0.47) NPC1NAMPTSMN1; SMN2TP53KMT2A

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-109456324-A New isoindoline or isoquinoline compound, preparation method and the Pharmaceutical composition containing them 法国施维雅药厂 2019-03-12 — — CN disclosed
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