SCHEMBL21296534

SCHEMBL21296534

CN(C)[C@H]1CC(c2cccc(Br)c2)=CC[C@@H]1NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 4/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
MTNR1A P48039 1/20 0.32

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
SCHEMBL21296540 0.88 PIN1 (0.37) KMT2AMEN1MAPTPOLBMMP1
SCHEMBL21294766 0.88 PIN1 (0.37) KMT2AMEN1MAPTPOLBMMP1
SCHEMBL20063872 0.86 CTSB (0.36) KMT2AMEN1POLB
SCHEMBL29482004 0.86 CTSB (0.36) KMT2AMEN1POLB
SCHEMBL20063873 0.86 CTSB (0.36) KMT2AMEN1POLB
SCHEMBL21294930 0.80 IRAK4 (0.39)
SCHEMBL21294822 0.79 AKT1 (0.38)
SCHEMBL21294804 0.78 LMNA (0.41) KMT2AMEN1KDM4E
SCHEMBL21838618 0.78 RIPK1 (0.32) KMT2ASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL21306631 0.76 KAT6A (0.37)

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-3759098-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS Genentech, Inc. (US) 2021-01-06 EP disclosed
WO-2019165290-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS GENENTECH, INC. (US) 2019-08-29 WO disclosed