SCHEMBL29581205

SCHEMBL29581205

O=[N+]([O-])c1cc(Br)c2c(c1)NCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP3A4 P08684 2/20 0.40
▸ GLA P06280 1/20 0.39
▸ CYP19A1 P11511 1/20 0.37
▸ VCAM1 P19320 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ESPL1 Q14674 1/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 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
SCHEMBL28548105 1.00 MAPT (0.44) MAPTALDH1A1CYP3A4GLACYP19A1
SCHEMBL28330461 0.83 ALDH1A1 (0.42) MAPTALDH1A1CYP3A4CYP19A1VCAM1
SCHEMBL4427422 0.81 ALDH1A1 (0.46) MAPTALDH1A1CYP19A1VCAM1MEN1
SCHEMBL27689229 0.74 HTR1D (0.44) MAPTALDH1A1CYP3A4CYP19A1VCAM1
SCHEMBL26694532 0.73 ALDH1A1 (0.44) MAPTALDH1A1CYP3A4GLACYP19A1
SCHEMBL1686017 0.71 UHRF1 (0.40) MAPTALDH1A1GLAMEN1KMT2A
SCHEMBL395008 0.71 PNMT (0.51) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29581896 0.71 PNMT (0.51) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27670186 0.71 ALDH1A1 (0.48) MAPTALDH1A1CYP19A1VCAM1KMT2A
SCHEMBL29698223 0.71 PARP10 (0.50) MAPTALDH1A1CYP3A4GLACYP19A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574106-B Synthesis method of 7-amino-5-bromoquinoline 苏州康润医药有限公司 2022-04-12 — — CN claimed
CN-112574106-B Synthesis method of 7-amino-5-bromoquinoline 苏州康润医药有限公司 2022-04-12 — — CN disclosed
CN-112574106-B Synthesis method of 7-amino-5-bromoquinoline 苏州康润医药有限公司 2022-04-12 — — CN disclosed
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