SCHEMBL17499778

SCHEMBL17499778

COc1ccccc1C/N=C\c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HTT P42858 4/20 0.48
ALDH1A1 P00352 4/20 0.48
PKM P14618 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RECQL P46063 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
GAA P10253 3/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 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
SCHEMBL17499780 1.00 MAPT (0.49) MAPTLMNAMEN1KMT2AHTT
SCHEMBL16097460 0.86 MAPT (0.47) MAPTLMNAMEN1KMT2AHTT
SCHEMBL17499302 0.86 MAPT (0.38) MAPTLMNAMEN1KMT2AHTT
SCHEMBL16095830 0.86 MAPT (0.38) MAPTLMNAMEN1KMT2AHTT
SCHEMBL16095832 0.86 MAPT (0.38) MAPTLMNAMEN1KMT2AHTT
SCHEMBL18430915 0.78 ALDH1A1 (0.49) MAPTLMNAMEN1KMT2AHTT
SCHEMBL18430934 0.77 GRIN1 (0.41) MAPTLMNAMEN1KMT2AHTT
SCHEMBL20200241 0.76 GRIN1 (0.49) MAPTLMNAMEN1KMT2AHTT
SCHEMBL16096740 0.75 GRIN1 (0.45) MAPTLMNAMEN1KMT2AHTT
SCHEMBL16096741 0.75 GRIN1 (0.45) MAPTLMNAMEN1KMT2AHTT

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