SCHEMBL28980919

SCHEMBL28980919

O=C1C2CN(Cc3ccc4ccccc4c3)CCN2C(=O)CN1Cc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ DRD4 P21917 1/20 0.44
▸ TRPV6 Q9H1D0 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ CLPP Q16740 2/20 0.39
▸ COMT P21964 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL30337129 1.00 KMT2A (0.46) KMT2AMEN1DRD4TRPV6ALDH1A1
SCHEMBL30336976 0.89 KMT2A (0.55) KMT2AMEN1DRD4CLPPACHE
SCHEMBL30337066 0.88 FAAH (0.48) —
SCHEMBL30337505 0.87 ALDH1A1 (0.46) KMT2AMEN1TRPV6ALDH1A1CLPP
SCHEMBL30337060 0.84 KMT2A (0.49) KMT2AMEN1DRD4CLPPACHE
SCHEMBL30337139 0.84 MCHR1 (0.42) KMT2ADRD4ACHEPKM
SCHEMBL26092261 0.82 KMT2A (0.41) KMT2ADRD4ACHEPKM
SCHEMBL30337305 0.82 HTR1A (0.43) KMT2AALDH1A1KDM4EACHEPKM
SCHEMBL28980922 0.82 HTR1A (0.40) DRD4ALDH1A1CLPPKDM4ETDP1
SCHEMBL30337511 0.80 KMT2A (0.43) KMT2ACLPPACHEPKM

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-115916206-A Novel compound and pharmaceutical composition for preventing or treating resistant cancer comprising same 治愈医药社株式会社 2023-04-04 — — CN disclosed
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