SCHEMBL29489983

SCHEMBL29489983

CCCC1CN=Cc2cc3ncccc3cc2O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ AIMP2 Q13155 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ NPC1 O15118 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CASP6 P55212 1/20 0.31
▸ CHKA P35790 1/20 0.31
▸ PLK1 P53350 1/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ CRHBP P24387 1/20 0.30
▸ CRHR2 Q13324 1/20 0.30
▸ CASP1 P29466 2/20 0.30
▸ HTT P42858 2/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ NR4A2 P43354 1/20 0.30

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
SCHEMBL31697555 0.90 PDGFRB (0.35) PDGFRBPDGFRAAIMP2ALDH1A1NPC1
SCHEMBL29490001 0.85 PDGFRB (0.35) PDGFRBPDGFRAAIMP2ALDH1A1NPC1
SCHEMBL22744608 0.73 CHKA (0.34) PDGFRBPDGFRAAIMP2ALDH1A1NPC1
SCHEMBL29442649 0.73 CHKA (0.34) PDGFRBPDGFRAAIMP2ALDH1A1NPC1
SCHEMBL29489993 0.71 SMN1; SMN2 (0.32) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL30201067 0.69 PDGFRB (0.36) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL29490002 0.68 PDGFRB (0.36) PDGFRBPDGFRA
SCHEMBL24650152 0.65 CHKA (0.35) PDGFRBPDGFRAAIMP2ALDH1A1NPC1
SCHEMBL22744560 0.65 CHKA (0.35) PDGFRBPDGFRAAIMP2ALDH1A1NPC1
SCHEMBL24650159 0.65 CHKA (0.35) PDGFRBPDGFRAAIMP2ALDH1A1NPC1

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-3978073-A1 BENZOTRIAZOLE DERIVATIVE Ube Industries, Ltd. (JP) 2022-04-06 — — EP claimed
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