SCHEMBL20142238

SCHEMBL20142238

NCCn1c(C(=O)O)cc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
CYP1A2 P05177 1/20 0.65
POLB P06746 1/20 0.65
CCR2 P41597 4/20 0.65
MCL1 Q07820 4/20 0.58
DAO P14920 1/20 0.56
TSHR P16473 2/20 0.53
PLA2G10 O15496 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FDPS P14324 1/20 0.48
CNR2 P34972 2/20 0.47
HTT P42858 1/20 0.47
GPR35 Q9HC97 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
SCHEMBL13742238 0.87 ALDH1A1 (0.65) ALDH1A1CYP1A2POLBCCR2MCL1
SCHEMBL13305894 0.87 CCR2 (0.69) ALDH1A1CYP1A2POLBCCR2MCL1
SCHEMBL13701158 0.87 CCR2 (0.69) ALDH1A1CYP1A2POLBCCR2MCL1
SCHEMBL5254835 0.85 CCR2 (0.67) ALDH1A1CYP1A2POLBCCR2MCL1
SCHEMBL1422436 0.84 CCR2 (0.74) ALDH1A1CYP1A2POLBCCR2MCL1
SCHEMBL700800 0.84 ALDH1A1 (0.69) ALDH1A1CYP1A2POLBCCR2MCL1
SCHEMBL6752492 0.83 ALDH1A1 (0.63) ALDH1A1CYP1A2POLBCCR2MCL1
SCHEMBL20109879 0.82 ALDH1A1 (0.49) ALDH1A1CYP1A2POLBCCR2MCL1
SCHEMBL7463101 0.81 CCR2 (0.71) ALDH1A1CYP1A2POLBCCR2MCL1
SCHEMBL10757133 0.81 ALDH1A1 (0.66) ALDH1A1CYP1A2POLBCCR2MCL1

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed