SCHEMBL30813201

SCHEMBL30813201

O=c1n(Cc2cccc(Br)c2)nc2n1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ MAOB P27338 2/20 0.46
▸ ADORA1 P30542 2/20 0.46
▸ HPGD P15428 2/20 0.45
▸ ADORA2A P29274 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ MBTD1 Q05BQ5 1/20 0.42
▸ L3MBTL3 Q96JM7 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ PARP1 P09874 1/20 0.39

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
SCHEMBL30813207 0.85 ALDH1A1 (0.44) HPGDTSHRALDH1A1
SCHEMBL30813048 0.85 ALDH1A1 (0.49) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL30813108 0.85 GRM5 (0.53) SMN1; SMN2TDP1MAOBADORA2AMEN1
SCHEMBL30813223 0.82 PREP (0.33) —
SCHEMBL30813076 0.82 ALDH1A1 (0.52) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL30813209 0.82 CMA1 (0.48) MEN1KMT2ALMNAALDH1A1
SCHEMBL30813188 0.82 FAAH (0.39) —
SCHEMBL30813059 0.80 ALDH1A1 (0.49) HTTALDH1A1
SCHEMBL30813097 0.80 POLB (0.49) SMN1; SMN2TDP1MAOBADORA1HPGD
SCHEMBL30813113 0.79 GRM5 (0.40) MAOBADORA1ADORA2ALMNA

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-3455224-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AG (DE) 2024-03-27 — — EP disclosed
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