SCHEMBL29814945

SCHEMBL29814945

CN1c2ccccc2SC1/C=C/c1ccncc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.34
▸ MAPT P10636 5/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HBB P68871 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL28820816 0.88 BCHE (0.39) MAPTKDM4EMAOALMNA
SCHEMBL28820660 0.88 BCHE (0.39) MAPTKDM4EMAOALMNA
SCHEMBL29815022 0.82 CYP19A1 (0.41) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL29815013 0.82 APP (0.35) MAPTRAB9ASMN1; SMN2CYP3A4KMT2A
SCHEMBL29815035 0.82 NFE2L2 (0.41) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29814949 0.82 ERBB2 (0.37) NPC1RAB9AKDM4EHPGDCYP2C19
SCHEMBL31231848 0.80 APP (0.40) SMN1; SMN2MAOAAPP
SCHEMBL21300106 0.80 RELA (0.46) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29815142 0.80 MAOA (0.31) MAOA
SCHEMBL29815414 0.80 RAB9A (0.38) MAPTNPC1CYP1A2RAB9ASMN1; SMN2

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-110308124-B Application of fluorescence probe containing benzothiazole compound in detecting bacterial messenger molecule c-di-GMP 暨南大学 2022-06-03 — — CN disclosed
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