SCHEMBL18753379

SCHEMBL18753379

O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2ccc(N[SH](=O)=O)c(F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ HSD11B1 P28845 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ ABL1 P00519 2/20 0.42
▸ BCR P11274 2/20 0.42
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PARP14 Q460N5 1/20 0.40
▸ PARP10 Q53GL7 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
SCHEMBL18753318 0.90 KMT2A (0.59) KMT2AMEN1HSD11B1ALDH1A1LMNA
SCHEMBL18753814 0.88 SMN1; SMN2 (0.48) KMT2AMEN1ALDH1A1LMNAABL1
SCHEMBL18753448 0.87 LMNA (0.51) KMT2AMEN1ALDH1A1LMNAHSD17B10
SCHEMBL20750527 0.86 KMT2A (0.55) KMT2AMEN1HSD11B1ALDH1A1LMNA
SCHEMBL18753373 0.86 ALDH1A1 (0.57) KMT2AMEN1HSD11B1ALDH1A1LMNA
SCHEMBL18753323 0.83 POLB (0.57) KMT2AMEN1ALDH1A1ABL1BCR
SCHEMBL18753305 0.82 L3MBTL1 (0.56) KMT2AMEN1SMN1; SMN2L3MBTL1POLB
SCHEMBL18753804 0.82 KMT2A (0.55) KMT2AMEN1HSD11B1ALDH1A1LMNA
SCHEMBL18753480 0.82 POLB (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL18753490 0.81 DPP4 (0.45) KMT2AMEN1ALDH1A1LMNAHSD17B10

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
EP-3241554-B1 QUINOLINE-8-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY AGIOS PHARMACEUTICALS INC (US) 2020-01-29 — — EP disclosed
EP-2448582-B1 QUINOLINE-8-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY AGIOS PHARMACEUTICALS INC (US) 2017-04-19 — — EP disclosed
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