SCHEMBL20433804

SCHEMBL20433804

CN(c1ccccc1)c1nc2ccccc2n1CCS

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 2/20 0.40
TNF P01375 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL26518702 0.79 RAB9A (0.50) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL17347580 0.76 POLB (0.38) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL12048765 0.73 MAPK1 (0.56) ALDH1A1MAPTMEN1CYP1A2CYP3A4
SCHEMBL20083833 0.71 TSHR (0.68) MAPTHPGDMEN1HTTRAB9A
SCHEMBL17329383 0.70 KDM4E (0.50) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL17329359 0.70 ALDH1A1 (0.42) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL17329378 0.69 MAPT (0.43) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL20433846 0.68 GAA (0.70) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL12546385 0.68 MAPK1 (0.49) ALDH1A1MAPTMEN1CYP1A2CYP3A4
SCHEMBL20550090 0.66 ALDH1A1 (0.47) ALDH1A1MAPTHPGDKDM4EMEN1

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
EP-2960284-B1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME BRIDGESTONE CORP (JP) 2018-08-01 EP disclosed