SCHEMBL21712549

SCHEMBL21712549

Cc1cnc(C(=O)N2CCC(C)C2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.51
▸ POLB P06746 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ ADRA1A P35348 1/20 0.46
▸ MYC P01106 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ GRM5 P41594 1/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ ACHE P22303 1/20 0.40

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
SCHEMBL5909305 0.81 ALDH1A1 (0.50) ATMALDH1A1POLBKMT2AMEN1
SCHEMBL14731464 0.81 RECQL (0.50) ALDH1A1KMT2AMEN1ADRA1ARECQL
SCHEMBL14730753 0.81 RECQL (0.50) ALDH1A1KMT2AMEN1ADRA1ARECQL
SCHEMBL10330247 0.77 HPGD (0.56) ATMALDH1A1POLBKMT2AMEN1
SCHEMBL2219100 0.76 SMN1; SMN2 (0.60) ALDH1A1MAPTMYCGRM5HPGD
SCHEMBL25972070 0.76 ALDH1A1 (0.49) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL5908996 0.76 ALDH1A1 (0.64) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL12442637 0.76 HPGD (0.62) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL29944223 0.76 HPGD (0.62) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL14290099 0.75 RECQL (0.43) ALDH1A1MAPTRECQLGRM5APOBEC3A

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-2020029980-A1 SMAD3 INHIBITORS MOEXA PHARMACEUTICALS LIMITED (CN) 2020-02-13 — — WO disclosed
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