SCHEMBL30367096

SCHEMBL30367096

Cc1cccc(CC(=O)Nc2cc(-c3ccnc(N4CCC(CO)CC4)c3)ccn2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.61
▸ PSEN1 P49768 1/20 0.50
▸ PSEN2 P49810 1/20 0.50
▸ APH1B Q8WW43 1/20 0.50
▸ NCSTN Q92542 1/20 0.50
▸ APH1A Q96BI3 1/20 0.50
▸ PSENEN Q9NZ42 1/20 0.50
▸ MAPT P10636 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ WNT3A P56704 3/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ MAPK8 P45983 1/20 0.45
▸ GSK3A P49840 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ HIPK1 Q86Z02 1/20 0.45
▸ RIOK2 Q9BVS4 1/20 0.45
▸ SNRK Q9NRH2 1/20 0.45

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
SCHEMBL30366978 0.92 WNT3A (0.56) RXRAPSEN1PSEN2APH1BNCSTN
SCHEMBL30366740 0.89 RXRA (0.58) RXRAWNT3AMEN1KMT2AMAPK14
SCHEMBL30366865 0.88 RXRA (0.56) RXRAMAPTGSK3AMAPK10RIOK2
SCHEMBL30366946 0.83 RXRA (0.82) RXRAMAPTMEN1RAB9AKMT2A
SCHEMBL30366741 0.83 WNT3A (0.63) RXRAWNT3A
SCHEMBL30367152 0.82 WNT3A (0.54) RXRAWNT3A
SCHEMBL30367158 0.82 RXRA (0.66) RXRAL3MBTL1WNT3AMEN1RAB9A
SCHEMBL31050200 0.81 WNT3A (0.57) RXRAMAPTWNT3AITGB2ICAM1
SCHEMBL30366840 0.80 TRPV1 (0.50) RXRAMAPTWNT3ARAB9AMAPK14
SCHEMBL30366861 0.79 MAPT (0.58) MAPTWNT3AGSK3AMAPK10RIOK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082310-B Bipyridine amide derivative, and preparation and application thereof 厦门大学 2024-08-20 — — CN disclosed
CN-116082310-A Bipyridine amide derivative, and preparation and application thereof 厦门大学 2023-05-09 — — CN disclosed
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