SCHEMBL17499520

SCHEMBL17499520

COc1ccccc1N=C(C)c1ccncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CCR8 P51685 2/20 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
SCHEMBL17499456 0.86 HKDC1 (0.35) ALDH1A1MAPTLMNAHSD17B10CTNNB1
SCHEMBL16098253 0.85 TBXA2R (0.47) ALDH1A1MAPTLMNACTNNB1WNT3A
SCHEMBL17499504 0.85 HKDC1 (0.34) ALDH1A1MAPTLMNAHSD17B10CTNNB1
SCHEMBL16102246 0.83 RAB9A (0.55) ALDH1A1MAPTLMNAHSD17B10RAB9A
SCHEMBL16095574 0.81 POLB (0.48) ALDH1A1MAPTLMNAHSD17B10RAB9A
SCHEMBL15137200 0.80 ALDH1A1 (0.47) ALDH1A1MAPTLMNAHSD17B10RAB9A
SCHEMBL15137199 0.80 ALDH1A1 (0.47) ALDH1A1MAPTLMNAHSD17B10RAB9A
SCHEMBL17499640 0.80 ALDH1A1 (0.45) ALDH1A1MAPTLMNAHSD17B10RAB9A
SCHEMBL17499695 0.80 MAPT (0.42) ALDH1A1MAPTLMNAHSD17B10RAB9A
SCHEMBL16095897 0.78 MAPT (0.48) ALDH1A1MAPTLMNAHSD17B10RAB9A

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