SCHEMBL17329359

SCHEMBL17329359

CN(C)c1nc2ccccc2n1CCSS

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HTT P42858 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
GFER P55789 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.41
MAPK1 P28482 3/20 0.40
PKM P14618 2/20 0.40
TDP1 Q9NUW8 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
SCHEMBL17329378 0.88 MAPT (0.43) ALDH1A1HTTSMN1; SMN2MAPTCYP1A2
SCHEMBL17329383 0.80 KDM4E (0.50) ALDH1A1HTTSMN1; SMN2MAPTCYP1A2
SCHEMBL17365980 0.78 POLB (0.41) ALDH1A1HTTSMN1; SMN2MAPTCYP1A2
SCHEMBL17329362 0.77 CXCR4 (0.68) HTTCYP1A2KMT2APOLBCYP2D6
SCHEMBL20550090 0.76 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2MAPTCYP1A2
SCHEMBL14685203 0.72 SMN1; SMN2 (0.57) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL20433804 0.70 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2MAPTCYP1A2
SCHEMBL17347580 0.67 POLB (0.38) ALDH1A1HTTSMN1; SMN2MAPTCYP1A2
SCHEMBL21912825 0.65 MAPK1 (0.61) ALDH1A1HTTMAPTCYP1A2MEN1
SCHEMBL28223149 0.64 NPSR1 (0.50) ALDH1A1HTTSMN1; SMN2MAPTKDM4E

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
EP-2960284-B1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME BRIDGESTONE CORP (JP) 2018-08-01 EP disclosed
US-20150361248-A1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME OTSUKA CHEMICAL CO., LTD. (JP) 2015-12-17 US disclosed