SCHEMBL22864221

SCHEMBL22864221

C[C@H](CNC(C)(C)C)c1cccc2nccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2D6 P10635 3/20 0.37
▸ ADRB1 P08588 2/20 0.37
▸ ADRB2 P07550 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ BLM P54132 1/20 0.36
▸ GRK3 P35626 1/20 0.35
▸ PKM P14618 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PKLR P30613 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL24631013 0.84 ADRB2 (0.52) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL24630960 0.84 ADRB2 (0.52) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL23870602 0.78 TSHR (0.44) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL20763741 0.75 MAPT (0.41) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL24631012 0.74 ADRB2 (0.48) KMT2ACYP2D6ADRB1ADRB2NFKB1
SCHEMBL12338365 0.73 MAPT (0.48) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL27328332 0.71 KDM4E (0.46) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL22864223 0.70 ALDH1A1 (0.42) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL17755389 0.69 MAPT (0.45) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL19706018 0.68 KDM4E (0.34) KDM4EMAPTALDH1A1MEN1KMT2A

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
WO-2021003161-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2021-01-07 — — WO disclosed
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