SCHEMBL29589890

SCHEMBL29589890

C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)CN(C(=O)Nc1ccccc1)C2

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 16/20 0.59
▸ RAB9A P51151 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ BCL2 P10415 1/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.49
▸ TAS1R1 Q7RTX1 1/20 0.49
▸ TAS1R2 Q8TE23 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL29590211 0.94 RAB9A (0.62) NAMPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL29589684 0.88 BCL2 (0.51) NAMPTBCL2LMNAPKM
SCHEMBL29587968 0.88 NAMPT (0.57) NAMPTBCL2
SCHEMBL29590949 0.83 NAMPT (0.42) NAMPTBCL2LMNAPKM
SCHEMBL29589831 0.83 OPRM1 (0.43) NAMPTBCL2LMNAPKM
SCHEMBL28278989 0.82 NPC1 (0.56) NAMPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL29591192 0.82 BCL2 (0.51) NAMPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL29589723 0.81 BCL2 (0.52) BCL2
SCHEMBL23327023 0.81 NPC1 (0.55) NAMPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL29590775 0.79 HSP90AA1 (0.47) NAMPTSMN1; SMN2NPC1TP53LMNA

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-B Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-04-22 — — CN disclosed
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