SCHEMBL26047096

SCHEMBL26047096

Cc1ccnc(N2CCC3(COC3)C2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.47
▸ LRRK2 Q5S007 1/20 0.41
▸ SORD Q00796 1/20 0.41
▸ TTK P33981 5/20 0.41
▸ HSD17B10 Q99714 5/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ OGA O60502 1/20 0.39
▸ SLC6A7 Q99884 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 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
SCHEMBL30556651 0.88 SORD (0.45) DYRK1ASORDHSD17B10TSHRALDH1A1
SCHEMBL30556663 0.80 ALDH1A1 (0.46) SORDHSD17B10TSHRALDH1A1CYP2D6
SCHEMBL26046515 0.80 ALDH1A1 (0.58) HSD17B10TSHRALDH1A1CYP2D6CYP1A2
SCHEMBL26046514 0.80 ALDH1A1 (0.58) HSD17B10TSHRALDH1A1CYP2D6CYP1A2
SCHEMBL30556652 0.79 CYP2D6 (0.52) SORDHSD17B10TSHRALDH1A1CYP2D6
SCHEMBL30637430 0.78 SORD (0.47) SORDHSD17B10ALDH1A1OGASLC6A7
SCHEMBL30556699 0.77 HSD17B10 (0.44) SORDHSD17B10TSHRALDH1A1CYP2D6
SCHEMBL26201769 0.75 CYP2D6 (0.51) HSD17B10TSHRALDH1A1CYP2D6CYP1A2
SCHEMBL15345159 0.74 SORD (0.52) SORDHSD17B10ALDH1A1OGASLC6A7
SCHEMBL26646178 0.74 SORD (0.52) SORDHSD17B10ALDH1A1OGASLC6A7

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-2023164611-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-08-31 — — WO disclosed
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