SCHEMBL17499736

SCHEMBL17499736

Cc1nn(C)cc1/C=N/c1ccccc1O[Si](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
RAB9A P51151 5/20 0.42
HPGD P15428 4/20 0.42
NPC1 O15118 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 5/20 0.37
MAPK1 P28482 1/20 0.36
GLA P06280 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
ALPG P10696 1/20 0.34

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
SCHEMBL17499739 1.00 ALDH1A1 (0.42) ALDH1A1RAB9AHPGDNPC1KMT2A
SCHEMBL16101460 0.86 ALDH1A1 (0.44) ALDH1A1RAB9AHPGDNPC1KMT2A
SCHEMBL16101461 0.86 ALDH1A1 (0.44) ALDH1A1RAB9AHPGDNPC1KMT2A
SCHEMBL16101259 0.86 ALDH1A1 (0.43) ALDH1A1RAB9AHPGDNPC1KMT2A
SCHEMBL16101261 0.86 ALDH1A1 (0.43) ALDH1A1RAB9AHPGDNPC1KMT2A
SCHEMBL17499095 0.83 ALDH1A1 (0.44) ALDH1A1RAB9AHPGDNPC1KMT2A
SCHEMBL17499579 0.79 CYP1A2 (0.44) ALDH1A1RAB9AHPGDNPC1KMT2A
SCHEMBL17499576 0.79 CYP1A2 (0.44) ALDH1A1RAB9AHPGDNPC1KMT2A
SCHEMBL17499824 0.79 KMT2A (0.33) ALDH1A1KMT2AMAPK1
SCHEMBL16096009 0.76 ALDH1A1 (0.44) ALDH1A1RAB9AHPGDNPC1KMT2A

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