SCHEMBL31546285

SCHEMBL31546285

Cc1cc(C(C)(C)O)nn1-c1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC34A1 Q06495 4/20 0.44
▸ TGFBR1 P36897 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PDPK1 O15530 1/20 0.39
▸ CYP11B2 P19099 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ NTRK2 Q16620 1/20 0.38
▸ AR P10275 1/20 0.38
▸ FPR1 P21462 1/20 0.37
▸ RIPK1 Q13546 3/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CYP2A6 P11509 1/20 0.35

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
SCHEMBL18865866 0.84 PDPK1 (0.53) SLC34A1TGFBR1ALDH1A1MAPTPDPK1
SCHEMBL30677147 0.80 PTGS2 (0.41) ALDH1A1MAPTNPSR1TDP1RIPK1
SCHEMBL378335 0.78 SLC34A1 (0.57) SLC34A1ALDH1A1MAPTNPSR1TDP1
SCHEMBL30677159 0.77 MAPK14 (0.44) ALDH1A1MAPTNPSR1TDP1
SCHEMBL18865774 0.75 SLC34A1 (0.43) SLC34A1ALDH1A1MAPTNPSR1TDP1
SCHEMBL30607657 0.74 KDM4E (0.65) TGFBR1MAPTAR
SCHEMBL21821542 0.73 RPA1 (0.55) ALDH1A1RIPK1
SCHEMBL18865766 0.73 FLT3 (0.43) SLC34A1ALDH1A1MAPTNPSR1TDP1
SCHEMBL31254578 0.72 PTGS2 (0.54) SLC34A1ALDH1A1MAPTNPSR1TDP1
SCHEMBL31254585 0.72 PTGS2 (0.54) SLC34A1ALDH1A1MAPTNPSR1TDP1

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-119731178-A USP1 inhibitors and uses thereof 福马治疗有限公司 2025-03-28 — — CN disclosed
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