SCHEMBL27836537

SCHEMBL27836537

Cc1cc(Cl)c(C(=O)O)c(=O)n1CC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ GPR35 Q9HC97 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ CXCR3 P49682 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ATM Q13315 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
SCHEMBL1063575 0.86 KMT2A (0.53) LMNAHSD17B10MEN1KMT2AMAPT
SCHEMBL10314639 0.83 LMNA (0.56) LMNAHSD17B10MEN1KMT2AMAPT
SCHEMBL27836507 0.75 IDO1 (0.46) MEN1KMT2AMAPTCXCR3ALDH1A1
SCHEMBL1062513 0.74 KMT2A (0.51) LMNAMEN1KMT2AMAPTGAA
SCHEMBL27854511 0.73 MAPK1 (0.46) LMNAHSD17B10MEN1KMT2AKDM4E
SCHEMBL1063594 0.73 KMT2A (0.49) LMNAMEN1KMT2AMAPTGAA
SCHEMBL10314572 0.72 LMNA (0.47) LMNAMEN1KMT2AMAPTGAA
SCHEMBL11610226 0.70 GAA (0.52) LMNAMEN1KMT2AMAPTGAA
SCHEMBL3401272 0.70 LMNA (0.51) LMNAHSD17B10MEN1KMT2AMAPT
SCHEMBL27854533 0.70 PTGDR2 (0.41) LMNAMEN1KMT2AKDM4ENPSR1

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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