SCHEMBL28042011

SCHEMBL28042011

Cc1cc(C)c2c(N)cccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
TDP1 Q9NUW8 1/20 0.53
NCF1 P14598 2/20 0.52
ALDH1A1 P00352 4/20 0.50
POLB P06746 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 3/20 0.50
CYP1A2 P05177 2/20 0.50
GAA P10253 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TDP2 O95551 1/20 0.46
NSD2 O96028 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL10250830 0.85 NCF1 (0.56) KDM4ETDP1NCF1ALDH1A1POLB
SCHEMBL12258259 0.82 CYP1A2 (0.55) KDM4ENCF1ALDH1A1POLBSMN1; SMN2
SCHEMBL8706608 0.81 MAPT (0.40) KDM4ETDP1NCF1ALDH1A1POLB
SCHEMBL11599937 0.79 NCF1 (0.46) KDM4ETDP1NCF1ALDH1A1POLB
SCHEMBL9180938 0.77 GAA (0.56) KDM4ETDP1NCF1ALDH1A1POLB
SCHEMBL20292636 0.77 CYP1A2 (0.50) KDM4ENCF1ALDH1A1POLBSMN1; SMN2
SCHEMBL29941057 0.74 NCF1 (0.53) KDM4ETDP1NCF1ALDH1A1POLB
SCHEMBL11549006 0.73 NCF1 (0.41) KDM4ETDP1NCF1ALDH1A1POLB
SCHEMBL11547589 0.72 KDM4E (0.56) KDM4ETDP1NCF1ALDH1A1POLB
SCHEMBL10251084 0.72 DCPS (0.57) KDM4ETDP1NCF1ALDH1A1POLB

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
CN-105136787-A Detection reagent for mono-hydroxyphenyl metabolin urine SHANGHAI FEI JI BIOTECHNOLOGY CO LTD 2015-12-09 CN disclosed