SCHEMBL28495548

SCHEMBL28495548

Oc1nc(S)nc2cnn(C3CCCCO3)c12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP4F2 P78329 4/20 0.39
▸ CYP4A11 Q02928 4/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATR Q13535 2/20 0.31
▸ PDE9A O76083 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ YTHDC1 Q96MU7 1/20 0.31

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
SCHEMBL30304684 0.81 ALDH1A1 (0.40) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL29864329 0.74 ALDH1A1 (0.44) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL29863818 0.72 YTHDC1 (0.42) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL28522883 0.68 PDE9A (0.42) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL26964613 0.68 CYP4F2 (0.44) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL19465657 0.68 CYP4F2 (0.42) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL31111100 0.68 CYP4F2 (0.45) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL30529526 0.67 ALDH1A1 (0.44) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL158414 0.67 CYP4F2 (0.52) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL25322203 0.67 ALDH1A1 (0.45) ALDH1A1LMNAPOLBCYP4F2CYP4A11

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-107226808-B Tankyrase inhibitors 北京四环制药有限公司 2021-01-01 — — CN disclosed
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