SCHEMBL29856438

SCHEMBL29856438

Cc1ccncc1NC(=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAP4K1 Q92918 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ GSK3B P49841 3/20 0.44
▸ CETP P11597 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KDM6B O15054 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.42
▸ IMPDH2 P12268 1/20 0.42

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
SCHEMBL16303157 0.86 MDM4 (0.46) MDM4TP53NPC1RAB9ASMN1; SMN2
SCHEMBL26623650 0.85 MAPT (0.43) NPC1RAB9AMAPTGSK3BSIRT3
SCHEMBL30600744 0.82 KDM4C (0.50) MAPTGSK3BSIRT3TDP1MEN1
SCHEMBL2033252 0.82 KDM4C (0.50) MAPTGSK3BSIRT3TDP1MEN1
SCHEMBL14818762 0.82 POLB (0.54) RAB9ASMN1; SMN2HTTMEN1LMNA
SCHEMBL6634771 0.81 MAPT (0.46) MDM4TP53MAPTGSK3BCETP
SCHEMBL6635011 0.81 MAPT (0.51) MDM4TP53NPC1RAB9ASMN1; SMN2
SCHEMBL30418934 0.80 ALDH1A1 (0.55) MAPTGSK3BSIRT3TDP1MEN1
SCHEMBL1637363 0.80 ALDH1A1 (0.55) MAPTGSK3BSIRT3TDP1MEN1
SCHEMBL16303156 0.79 GAA (0.51) MDM4TP53MAPTGSK3BCETP

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-2022169974-A1 INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2022-08-11 — — WO disclosed
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