SCHEMBL17499596

SCHEMBL17499596

COc1ccccc1N=C(C)c1cnn(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
HTT P42858 1/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 4/20 0.37
MEN1 O00255 3/20 0.37

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
SCHEMBL17499294 0.87 ALDH1A1 (0.33) ALDH1A1MAPTLMNAHSD17B10HTT
SCHEMBL17499130 0.86 NPC1 (0.32) ALDH1A1MAPTLMNAHSD17B10RAB9A
SCHEMBL16101487 0.83 ALDH1A1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16100650 0.81 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16101313 0.78 NOS3 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17499673 0.78 GRIN2B (0.41) GRIN1GRIN2BSIGMAR1ALDH1A1LMNA
SCHEMBL17499398 0.78 RAB9A (0.35) ALDH1A1MAPTLMNAHTTRAB9A
SCHEMBL16101774 0.77 ALDH1A1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28823545 0.76 SIGMAR1 (0.41) SIGMAR1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL17499573 0.75 ALDH1A1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969593-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORP (JP) 2020-11-04 EP disclosed
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