SCHEMBL14822850

SCHEMBL14822850

CC(=O)[C@@H]1[C@H](C)[C@H]2C=C[C@@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.39
▸ TDP1 Q9NUW8 5/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ FUCA1 P04066 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CTDSP1 Q9GZU7 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
SCHEMBL13086263 1.00 POLB (0.39) POLBTDP1APEX1ALDH1A1FUCA1
SCHEMBL19325256 0.85 TDP1 (0.46) POLBTDP1APEX1ALDH1A1FUCA1
SCHEMBL14495731 0.85 TDP1 (0.46) POLBTDP1APEX1ALDH1A1FUCA1
SCHEMBL10016076 0.85 TDP1 (0.46) POLBTDP1APEX1ALDH1A1FUCA1
SCHEMBL24120969 0.85 TDP1 (0.46) POLBTDP1APEX1ALDH1A1FUCA1
SCHEMBL23612575 0.85 TDP1 (0.46) POLBTDP1APEX1ALDH1A1FUCA1
SCHEMBL10195112 0.85 TDP1 (0.46) POLBTDP1APEX1ALDH1A1FUCA1
SCHEMBL18053330 0.84 POLB (0.52) POLBTDP1APEX1FUCA1KMT2A
SCHEMBL6737293 0.82 POLB (0.50) POLBTDP1APEX1ALDH1A1SMN1; SMN2
SCHEMBL352543 0.82 POLB (0.50) POLBTDP1APEX1ALDH1A1SMN1; SMN2

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
US-8410093-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2013-04-02 — — US disclosed
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