SCHEMBL15624546

SCHEMBL15624546

CC=C(CCC=O)c1cncc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ HCAR2 Q8TDS4 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ HTT P42858 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PKM P14618 2/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL1054521 0.81 POLB (0.53) POLBHCAR2KDM4EHTTSMN1; SMN2
SCHEMBL14222811 0.79 POLB (0.43) POLBHCAR2KDM4EHTTSMN1; SMN2
SCHEMBL6564650 0.72 POLB (0.50) POLBHCAR2KDM4EHTTSMN1; SMN2
SCHEMBL6564657 0.72 POLB (0.50) POLBHCAR2KDM4EHTTSMN1; SMN2
SCHEMBL6564653 0.72 POLB (0.50) POLBHCAR2KDM4EHTTSMN1; SMN2
SCHEMBL29433500 0.71 POLB (0.62) POLBHCAR2KDM4EHTTSMN1; SMN2
SCHEMBL6564351 0.71 POLB (0.62) POLBHCAR2KDM4EHTTSMN1; SMN2
SCHEMBL27623883 0.70 POLB (0.56) POLBHCAR2KDM4EHTTSMN1; SMN2
SCHEMBL16891501 0.68 POLB (0.58) POLBHCAR2KDM4EHTTSMN1; SMN2
SCHEMBL27522590 0.68 CYP2C19 (0.56) POLBHCAR2KDM4EHTTSMN1; SMN2

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
EP-2102229-B1 PYRROLYDINE DERIVATIVES AS IAP INHIBITORS NOVARTIS AG (CH) 2014-03-26 — — EP disclosed
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