SCHEMBL30366978

SCHEMBL30366978

Cc1cccc(CC(=O)Nc2ccc(-c3ccnc(N4CCC(CO)CC4)c3)cn2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 17/20 0.56
▸ RXRA P19793 1/20 0.52
▸ PSEN1 P49768 1/20 0.48
▸ PSEN2 P49810 1/20 0.48
▸ APH1B Q8WW43 1/20 0.48
▸ NCSTN Q92542 1/20 0.48
▸ APH1A Q96BI3 1/20 0.48
▸ PSENEN Q9NZ42 1/20 0.48

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
SCHEMBL30367096 0.92 RXRA (0.61) WNT3ARXRAPSEN1PSEN2APH1B
SCHEMBL30366741 0.91 WNT3A (0.63) WNT3ARXRA
SCHEMBL30367152 0.91 WNT3A (0.54) WNT3ARXRA
SCHEMBL31050200 0.89 WNT3A (0.57) WNT3ARXRA
SCHEMBL30367160 0.88 WNT3A (0.59) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL30366740 0.83 RXRA (0.58) WNT3ARXRA
SCHEMBL30367057 0.83 WNT3A (0.57) WNT3A
SCHEMBL30367065 0.82 WNT3A (0.66) WNT3A
SCHEMBL30366865 0.81 RXRA (0.56) RXRA
SCHEMBL30367148 0.81 WNT3A (0.59) WNT3A

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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