SCHEMBL16348409

SCHEMBL16348409

COc1ccc(Cl)cc1-n1nc(C)c(C)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
HPGD P15428 3/20 0.48
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.43
NR1I2 O75469 2/20 0.43
METAP2 P50579 1/20 0.43
MAPT P10636 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9721217 0.81 ALDH1A1 (0.51) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL13172419 0.76 LMNA (0.50) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL15442925 0.76 POLB (0.49) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3579429 0.75 LMNA (0.49) ALDH1A1HPGDMAPK1TDP1LMNA
SCHEMBL16348410 0.73 PPARG (0.59) ALDH1A1HPGDMAPK1TDP1LMNA
SCHEMBL13172180 0.73 POLB (0.47) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL16348349 0.72 PPARG (0.58) ALDH1A1TSHRKDM4E
SCHEMBL2202595 0.71 LMNA (0.68) ALDH1A1HPGDMAPK1TDP1LMNA
SCHEMBL28103303 0.71 ALDH1A1 (0.46) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL13172131 0.70 POLB (0.43) ALDH1A1HTR3EHTR3BHTR3AHTR3D

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
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed