SCHEMBL31044571

SCHEMBL31044571

O=C(O)c1cc(C#CC2CC2)cnc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.50
▸ FFAR1 O14842 3/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ CHRNB2 P17787 2/20 0.37
▸ CHRNA2 Q15822 2/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ HAO1 Q9UJM8 4/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.34
▸ AKR1C2 P52895 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.33
▸ PTGES O14684 1/20 0.33

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
SCHEMBL31044631 0.84 EGLN1 (0.48) EGLN1FFAR1TBK1CHRNB2CHRNA2
SCHEMBL28420321 0.83 EGLN1 (0.46) EGLN1CHRNB2CHRNA2CHRNB4CHRNA3
SCHEMBL18335098 0.78 EGLN1 (0.44) EGLN1CHRNB2CHRNA2CHRNB4CHRNA3
SCHEMBL15808907 0.76 ALDH1A1 (0.47) FFAR1TBK1HAO1LMNASMN1; SMN2
SCHEMBL15900548 0.73 EGLN1 (0.53) EGLN1FFAR1CHRNB2CHRNA2CHRNB4
SCHEMBL3581884 0.73 TSHR (0.47) EGLN1FFAR1TBK1HAO1SMN1; SMN2
SCHEMBL19063445 0.72 EGLN1 (0.49) EGLN1FFAR1CHRNB2CHRNA2CHRNB4
SCHEMBL1975968 0.71 FFAR1 (0.48) EGLN1FFAR1HAO1SMN1; SMN2FFAR4
SCHEMBL31044554 0.70 EGLN1 (0.44) EGLN1FFAR1CHRNB2CHRNA2CHRNB4
SCHEMBL3727102 0.70 DHODH (0.46) LMNASMN1; SMN2KEAP1NFE2L2

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-111285874-B RET inhibitor, pharmaceutical composition thereof and application thereof 广东东阳光药业股份有限公司 2024-08-09 — — CN disclosed
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