SCHEMBL28040301

SCHEMBL28040301

Cc1cccc(N=C(c2ccccc2)c2cnccn2)c1O[SiH](C)C.[H+]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.41
TBXAS1 P24557 4/20 0.41
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 5/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL17499206 0.99 TBXA2R (0.42) TBXA2RTBXAS1ESR1ESR2SMN1; SMN2
SCHEMBL17499670 0.87 AGTR1 (0.40) ESR1ESR2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL16096540 0.86 TBXA2R (0.44) TBXA2RTBXAS1ESR1ESR2SMN1; SMN2
SCHEMBL28039899 0.85 MAPT (0.37) SMN1; SMN2ALDH1A1KMT2ARAB9AMAPT
SCHEMBL16096581 0.84 TBXA2R (0.42) TBXA2RTBXAS1ESR1ESR2SMN1; SMN2
SCHEMBL17499660 0.84 KMT2A (0.38) SMN1; SMN2ALDH1A1KMT2ARAB9AMAPT
SCHEMBL17499174 0.82 TBXA2R (0.45) TBXA2RTBXAS1SMN1; SMN2KMT2ARAB9A
SCHEMBL16096560 0.82 ESR2 (0.40) TBXA2RESR1ESR2SMN1; SMN2ALDH1A1
SCHEMBL28040285 0.82 TBXA2R (0.41) TBXA2RTBXAS1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL17499260 0.81 TBXA2R (0.42) TBXA2RTBXAS1SMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105209268-A Heterocyclic imine functionalized polymers BRIDGESTONE CORP 2015-12-30 CN disclosed