SCHEMBL21915868

SCHEMBL21915868

C=C(/C=C\CC)Nc1ccc2c(c1)sc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.44
▸ DHODH Q02127 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GPR3 P46089 1/20 0.38
▸ MMP12 P39900 7/20 0.36
▸ MMP13 P45452 6/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GABRP O00591 1/20 0.34

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
SCHEMBL25571680 0.92 MAPT (0.53) MAPTDHODHALDH1A1RAB9AHPGD
SCHEMBL23446186 0.80 L3MBTL1 (0.40) MAPTDHODHALDH1A1RAB9AHPGD
SCHEMBL28124654 0.74 KDM4E (0.55) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL24004174 0.74 KDM4E (0.54) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL3875263 0.73 ALDH1A1 (0.49) MAPTDHODHALDH1A1RAB9AHPGD
SCHEMBL20982288 0.73 ALDH1A1 (0.40) MAPTDHODHALDH1A1RAB9AHPGD
SCHEMBL24084080 0.73 MAPT (0.42) MAPTDHODHALDH1A1RAB9AHPGD
SCHEMBL19450424 0.72 TGM2 (0.42) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL21698302 0.71 GPR3 (0.54) MAPTDHODHALDH1A1RAB9AHPGD
SCHEMBL20425941 0.71 ALDH1A1 (0.46) MAPTDHODHALDH1A1RAB9AHPGD

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
WO-2020062375-A1 1,2,4-THIADIAZOLE COMPOUNDS AND PREPARATION METHOD THEREFOR AND USE THEREOF 武汉尚赛光电科技有限公司 2020-04-02 — — WO disclosed
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