SCHEMBL3630278

SCHEMBL3630278

N=C(NN)c1ccccc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTSD P07339 2/20 0.36
SIGMAR1 Q99720 4/20 0.33
PTPRF P10586 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 2/20 0.32
P2RX7 Q99572 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CFTR P13569 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PARP1 P09874 1/20 0.31
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31

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
SCHEMBL10519928 0.84 CTSD (0.38) MEN1KMT2ATDP1CTSDCA1
Hydrochloric Acid SCHEMBL6686934 0.81 BLM (0.39) MEN1KMT2ATDP1CTSDCA1
SCHEMBL17714568 0.80 MEN1 (0.42) MEN1KMT2ATDP1SIGMAR1PTPRF
SCHEMBL3957272 0.78 MAOA (0.47) ALDH1A1MAOAMAOB
Hydrochloric Acid SCHEMBL6960151 0.77 MAOA (0.50) TDP1ALDH1A1MAOAMAOB
SCHEMBL29943903 0.76 KDM4E (0.46) MEN1KMT2ATDP1CA1CA2
SCHEMBL2957138 0.76 ALDH1A1 (0.45) KMT2ATDP1ALDH1A1CFTRHSD17B10
SCHEMBL2956029 0.76 KDM4E (0.46) MEN1KMT2ATDP1CA1CA2
SCHEMBL7121807 0.76 F2 (0.41) KMT2ACTSDCA1CA2CA9
SCHEMBL7120827 0.75 CTSD (0.42) CTSDCA1CA2CA9ALDH1A1

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-2146984-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-01-27 EP disclosed
WO-2008144380-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-27 WO disclosed