SCHEMBL4737246

SCHEMBL4737246

Cc1cc(OCCO[Si](C)(C)C(C)(C)C)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
STAT3 P40763 1/20 0.40
PDIA6 Q15084 1/20 0.40
HAO1 Q9UJM8 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HBB P68871 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DUT P33316 1/20 0.35

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
SCHEMBL29502883 0.85 RAB9A (0.43) MAPTSMN1; SMN2TSHRPDIA6MEN1
SCHEMBL5467419 0.85 RAB9A (0.43) MAPTSMN1; SMN2TSHRPDIA6MEN1
SCHEMBL3362279 0.84 NSD2 (0.41) MAPTKDM4EALDH1A1DUTCA12
SCHEMBL30221972 0.81 DUT (0.34) PDIA6KDM4EALDH1A1DUTCA12
SCHEMBL20521475 0.81 DUT (0.34) PDIA6KDM4EALDH1A1DUTCA12
SCHEMBL13196947 0.81 KDM4E (0.42) MAPTSMN1; SMN2MAPK1LMNAMEN1
SCHEMBL2474081 0.80 ALDH1A1 (0.54) MAPTSMN1; SMN2MAPK1LMNATSHR
SCHEMBL5469399 0.79 ALDH1A1 (0.41) MAPTSMN1; SMN2PDIA6MEN1KMT2A
SCHEMBL3690504 0.79 CA12 (0.47) MAPTSMN1; SMN2MAPK1LMNAALOX15
SCHEMBL15831460 0.78 DRD2 (0.44) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1

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
WO-2008075955-A2 PROCESS FOR THE PREPARATION OF 1,4,5-TRISUBSTITUTED TRIAZOLES AND 3,4,5-TRISUBSTITUTED TRIAZOLES STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2008-06-26 WO disclosed