SCHEMBL30544636

SCHEMBL30544636

Cc1ccc(-c2cc(C(=O)N3CCN(CC(N)=O)CC3)c3cc(Br)ccc3n2)o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.70
▸ ALDH1A1 P00352 6/20 0.70
▸ MAPT P10636 6/20 0.70
▸ RXFP1 Q9HBX9 4/20 0.70
▸ MCL1 Q07820 3/20 0.70
▸ HTT P42858 3/20 0.70
▸ PKM P14618 3/20 0.70
▸ POLB P06746 5/20 0.63
▸ HPGD P15428 5/20 0.63
▸ TDP1 Q9NUW8 3/20 0.63
▸ L3MBTL1 Q9Y468 3/20 0.63
▸ GLA P06280 2/20 0.63
▸ NR4A1 P22736 1/20 0.63
▸ PPARG P37231 1/20 0.63
▸ RECQL P46063 1/20 0.63
▸ NCOR2 Q9Y618 1/20 0.63
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ NPSR1 Q6W5P4 5/20 0.53
▸ CYP1A2 P05177 1/20 0.53

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
SCHEMBL30544612 0.91 KDM4E (0.57) KDM4EALDH1A1MAPTRXFP1MCL1
SCHEMBL30544635 0.88 RAB9A (0.69) KDM4EALDH1A1MAPTRXFP1MCL1
SCHEMBL30544587 0.88 KDM4E (0.76) KDM4EALDH1A1MAPTRXFP1MCL1
SCHEMBL29082948 0.83 KDM4E (0.70) KDM4EALDH1A1MAPTRXFP1MCL1
SCHEMBL30544620 0.81 KDM4E (0.68) KDM4EALDH1A1MAPTRXFP1MCL1
SCHEMBL30544637 0.81 KDM4E (0.59) KDM4EALDH1A1MAPTRXFP1MCL1
SCHEMBL29703163 0.78 KDM4E (1.00) KDM4EALDH1A1MAPTRXFP1MCL1
SCHEMBL13856164 0.78 KDM4E (1.00) KDM4EALDH1A1MAPTRXFP1MCL1
SCHEMBL30544639 0.78 L3MBTL1 (0.73) KDM4EALDH1A1MAPTRXFP1MCL1
SCHEMBL30544623 0.77 ALDH1A1 (0.62) KDM4EALDH1A1MAPTRXFP1MCL1

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-116655607-A Polysubstituted quinoline compounds and application thereof 中国医学科学院医药生物技术研究所 2023-08-29 — — CN disclosed
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