SCHEMBL957005

SCHEMBL957005

O=C(NCF)c1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MEN1 O00255 4/20 0.60
EPHX2 P34913 1/20 0.58
HTT P42858 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALOX15 P16050 1/20 0.56
ALDH1A1 P00352 1/20 0.55
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54

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
SCHEMBL29580533 0.86 KMT2A (0.69) KMT2ASMN1; SMN2MEN1EPHX2KDM4E
SCHEMBL31658991 0.85 KMT2A (0.83) KMT2ASMN1; SMN2MEN1EPHX2ALOX15
SCHEMBL9341104 0.85 KMT2A (0.83) KMT2ASMN1; SMN2MEN1EPHX2ALOX15
SCHEMBL1503134 0.83 KMT2A (0.65) KMT2ASMN1; SMN2MEN1EPHX2HTT
SCHEMBL28244458 0.83 KMT2A (0.65) KMT2ASMN1; SMN2MEN1EPHX2HTT
SCHEMBL4134594 0.82 KMT2A (0.59) KMT2ASMN1; SMN2MEN1EPHX2HTT
SCHEMBL2516053 0.81 KDM4E (0.69) KMT2ASMN1; SMN2MEN1EPHX2HTT
SCHEMBL16215618 0.81 KMT2A (0.63) KMT2ASMN1; SMN2MEN1EPHX2HTT
SCHEMBL8516755 0.81 SMN1; SMN2 (0.90) KMT2ASMN1; SMN2MEN1EPHX2ALOX15
SCHEMBL509641 0.81 KMT2A (0.63) KMT2ASMN1; SMN2MEN1EPHX2HTT

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-2454250-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2012-05-23 EP claimed
WO-2011008709-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-20 WO claimed