SCHEMBL27854511

SCHEMBL27854511

O=C(Cn1c(=O)c(C(=O)O)c(Cl)c2ccccc21)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GLA P06280 1/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CCR2 P41597 1/20 0.41

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
SCHEMBL27854533 0.85 PTGDR2 (0.41) MEN1KMT2AALDH1A1IDO1KDM4E
SCHEMBL1060629 0.84 L3MBTL1 (0.67) MAPK1HSD17B10L3MBTL1MEN1KMT2A
SCHEMBL27836541 0.81 MAPT (0.43) MAPK1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL14197397 0.79 MAPK1 (0.48) MAPK1TSHRHSD17B10MEN1KMT2A
SCHEMBL27854540 0.77 L3MBTL1 (0.69) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14126895 0.75 EGFR (0.41) HSD17B10L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL27854524 0.74 FEN1 (0.55) TSHRL3MBTL1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL10672789 0.74 ALDH1A1 (0.56) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29524438 0.74 ALDH1A1 (0.56) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27836563 0.74 P2RX4 (0.61) MAPK1HSD17B10L3MBTL1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015705-B Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2013-11-13 — — CN disclosed
CN-102015705-A Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2011-04-13 — — CN disclosed
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