SCHEMBL28040334

SCHEMBL28040334

Cc1ccc(N=C(c2ccccc2)c2cnccn2)c(O[SiH](C)C)c1.[H+]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.43
TBXAS1 P24557 4/20 0.43
GAA P10253 1/20 0.37
ALDH1A1 P00352 6/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL17499277 0.99 TBXA2R (0.43) TBXA2RTBXAS1GAAALDH1A1KMT2A
SCHEMBL28040288 0.91 TBXA2R (0.40) TBXA2RTBXAS1GAAALDH1A1KMT2A
SCHEMBL17499362 0.90 TBXA2R (0.41) TBXA2RTBXAS1GAAALDH1A1KMT2A
SCHEMBL17499353 0.88 RAB9A (0.43) GAAALDH1A1KMT2AMAPTMEN1
SCHEMBL16097611 0.86 TBXA2R (0.46) TBXA2RTBXAS1GAAALDH1A1KMT2A
SCHEMBL17499174 0.86 TBXA2R (0.45) TBXA2RTBXAS1KMT2AMAPTMEN1
SCHEMBL16097111 0.85 TBXA2R (0.45) TBXA2RTBXAS1GAAALDH1A1KMT2A
SCHEMBL28039886 0.84 GAA (0.39) GAAALDH1A1KMT2AMAPTPOLB
SCHEMBL28040336 0.83 ALDH1A1 (0.32) ALDH1A1KMT2AMAPTMEN1
SCHEMBL17499521 0.83 TBXA2R (0.38) TBXA2RALDH1A1KMT2AMAPTMEN1

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