SCHEMBL20750502

SCHEMBL20750502

O=C(c1ccc(N[SH](=O)=O)cc1)N1CCN(C(=O)c2ccncc2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.50
▸ NAMPT P43490 9/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 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
SCHEMBL18753852 0.82 POLB (0.45) POLBL3MBTL1ALDH1A1ABL1BCR
SCHEMBL18753710 0.82 CPS1 (0.46) POLBLMNATSHRGAA
SCHEMBL18753335 0.80 LMNA (0.47) POLBLMNATSHR
SCHEMBL20750674 0.76 EPHX2 (0.49) POLBSMN1; SMN2CA12CA1CA2
SCHEMBL18753377 0.75 HPGD (0.61) POLBNAMPTSMN1; SMN2L3MBTL1CA12
SCHEMBL8257601 0.75 HPGD (0.54) POLBL3MBTL1ALDH1A1LMNATSHR
SCHEMBL18753814 0.74 SMN1; SMN2 (0.48) POLBSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL20750677 0.74 CHRNA4 (0.44) NAMPTSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL20192480 0.73 PKM (0.47) POLBL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL20750408 0.73 ALDH1A1 (0.43) POLBNAMPTSMN1; SMN2CA12CA1

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-2704720-B1 PYRUVATE KINASE R ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS INC (US) 2019-08-07 — — EP disclosed
EP-2658543-B1 PYRUVATE KINASE M2 (PKM2) ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS INC (US) 2019-02-20 — — EP disclosed
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