SCHEMBL31324044

SCHEMBL31324044

CCC1N(C)c2ccccc2N1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.44
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 6/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ GPR3 P46089 1/20 0.38
▸ GAA P10253 3/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ MPI P34949 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL31324047 1.00 PDGFRB (0.44) PDGFRBLMNAKDM4EALDH1A1HPGD
SCHEMBL21861792 0.81 PDGFRB (0.37) PDGFRBLMNAKDM4EALDH1A1HPGD
SCHEMBL24088414 0.80 ALDH1A1 (0.41) PDGFRBLMNAKDM4EALDH1A1HPGD
SCHEMBL22431487 0.80 MGLL (0.42) PDGFRBLMNAKDM4EALDH1A1HPGD
SCHEMBL275630 0.78 PDGFRB (0.42) PDGFRBLMNAKDM4EALDH1A1HPGD
SCHEMBL5808603 0.78 PDGFRB (0.38) PDGFRBLMNAKDM4EALDH1A1HPGD
SCHEMBL29981821 0.76 EGFR (0.38) LMNAKDM4EALDH1A1HPGDHTT
SCHEMBL18446106 0.76 ALDH1A1 (0.41) PDGFRBLMNAKDM4EALDH1A1
SCHEMBL21250753 0.75 PDGFRB (0.46) PDGFRBLMNAKDM4EALDH1A1HPGD
SCHEMBL31324046 0.74 CES1 (0.42) LMNAKDM4EALDH1A1MEN1KMT2A

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-119490199-A IWV molecular sieve containing metal heteroatom and preparation method and application thereof 山西师范大学 2025-02-21 — — CN disclosed
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