SCHEMBL1161663

SCHEMBL1161663

OC1Cc2ccccc2C1NI

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX7 Q99572 1/20 0.43
MMP9 P14780 4/20 0.42
MMP1 P03956 3/20 0.42
MMP2 P08253 3/20 0.42
MMP8 P22894 3/20 0.42
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
MAOB P27338 2/20 0.38

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
SCHEMBL8351029 0.81 MEN1 (0.46) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL4573484 0.81 MMP9 (0.45) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL21916831 0.81 P2RX7 (0.46) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL18539300 0.81 AURKA (0.43) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL8279734 0.81 MEN1 (0.46) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL12993256 0.81 NAMPT (0.43) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL1239662 0.81 MEN1 (0.46) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL8838933 0.81 MEN1 (0.46) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL8924211 0.81 MEN1 (0.46) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL1908726 0.81 MEN1 (0.46) NAMPTMEN1ALDH1A1KMT2AP2RX7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462115-A1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS Infinity Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
WO-2011017551-A1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS INFINITY PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
EP-2086948-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV Ranbaxy Laboratories Limited (IN) 2009-08-12 EP disclosed
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP disclosed
WO-2008035315-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED (IN) 2008-03-27 WO disclosed
US-6653303-B1 Fused nitroheterocycle with amino and amido functionality; inhibiting beta-amyloid peptide release and/or synthesis; Alzheimer's disease ATHENA NEUROSCIENCES, INC. 2003-11-25 US disclosed