SCHEMBL17499772

SCHEMBL17499772

COc1cc(C)ccc1N=C(c1ccccc1)c1nccnc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
POLB P06746 1/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 2/20 0.37
MITF O75030 1/20 0.37
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPK1 P28482 1/20 0.37
MMP14 P50281 1/20 0.37
SRC P12931 2/20 0.36
TGFBR1 P36897 2/20 0.36

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
SCHEMBL16098008 0.89 ALDH1A1 (0.34) ALDH1A1POLBHTTSMN1; SMN2TDP1
SCHEMBL16096486 0.87 HTT (0.40) ALDH1A1POLBHTTSMN1; SMN2TDP1
SCHEMBL17499388 0.87 ALDH1A1 (0.33) ALDH1A1MEN1MAPTKMT2A
SCHEMBL16097187 0.87 HTT (0.41) ALDH1A1POLBHTTSMN1; SMN2TDP1
SCHEMBL28040336 0.86 ALDH1A1 (0.32) ALDH1A1MEN1MAPTKMT2A
SCHEMBL16097491 0.84 HTT (0.41) ALDH1A1POLBHTTSMN1; SMN2TDP1
SCHEMBL16097611 0.82 TBXA2R (0.46) ALDH1A1POLBHTTSMN1; SMN2TDP1
SCHEMBL16096119 0.81 RAB9A (0.53) ALDH1A1POLBHTTSMN1; SMN2TDP1
SCHEMBL22607512 0.81 POLB (0.33) ALDH1A1POLBHTTTDP1LMNA
SCHEMBL17499483 0.81 ACHE (0.39) ALDH1A1POLBHTTSMN1; SMN2TDP1

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-9850328-B2 Polymers functionalized with heterocyclic imines BRIDGESTONE CORPORATION (JP) 2017-12-26 US disclosed
US-20160039958-A1 Polymers Functionalized With Heterocyclic Imines BRIDGESTONE CORPORATION (JP) 2016-02-11 US disclosed