SCHEMBL18937243

SCHEMBL18937243

C=CCN(CCBr)S(=O)(=O)c1ccccc1NO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
TDP1 Q9NUW8 3/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.35
ALOX12 P18054 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ESR1 P03372 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
C5AR1 P21730 1/20 0.32
CA1 P00915 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
SCHEMBL18030377 0.77 RAB9A (0.41) RAB9ATDP1KMT2AMEN1POLB
SCHEMBL354664 0.75 KMT2A (0.46) RAB9ATDP1KMT2AMEN1POLB
SCHEMBL10873957 0.75 HTR6 (0.46) RAB9ATDP1KMT2AMEN1POLB
SCHEMBL9277949 0.69 RAB9A (0.51) RAB9ATDP1KMT2AMEN1POLB
SCHEMBL24791572 0.66 RAB9A (0.48) RAB9ATDP1KMT2AMEN1POLB
SCHEMBL11130014 0.66 RAB9A (0.48) RAB9ATDP1KMT2AMEN1POLB
SCHEMBL10351908 0.66 RAB9A (0.48) RAB9ATDP1KMT2AMEN1POLB
SCHEMBL10351881 0.66 RAB9A (0.48) RAB9ATDP1KMT2AMEN1POLB
SCHEMBL28185888 0.66 RAB9A (0.48) RAB9ATDP1KMT2AMEN1POLB
SCHEMBL6112522 0.66 RAB9A (0.54) RAB9ATDP1KMT2AMEN1POLB

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-2560976-B9 FUROPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2017-06-07 EP disclosed