SCHEMBL29940374

SCHEMBL29940374

CC(CNc1nc(NCCN)nc([Si](OC(=O)c2ccccc2)(OC(=O)c2ccccc2)OC(=O)c2ccccc2)n1)[Si](OC(=O)c1ccccc1)(OC(=O)c1ccccc1)OC(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SYK P43405 4/20 0.34
ZAP70 P43403 1/20 0.34
BCDIN3D Q7Z5W3 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RECQL P46063 1/20 0.32
MCL1 Q07820 1/20 0.32
TSHR P16473 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 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
SCHEMBL29940762 0.78 PKM (0.39) PKMMAPK1ALDH1A1LMNASYK
SCHEMBL28379740 0.68 PKM (0.41) PKMMAPK1ALDH1A1LMNANPC1
SCHEMBL22299787 0.62 TSHR (0.59) MAPK1ALDH1A1LMNACA1CA2
SCHEMBL15836254 0.60 RHOA (0.69) SYKZAP70NPC1RAB9ARECQL
SCHEMBL12510997 0.60 RHOA (0.69) SYKZAP70NPC1RAB9ARECQL
SCHEMBL12373456 0.59 RECQL (0.69) MAPK1RECQLMCL1
SCHEMBL9487455 0.58 TSHR (0.41) PKMMAPK1ALDH1A1LMNANPC1
SCHEMBL12510954 0.58 NPC1 (0.54) SYKZAP70CA12CA1CA2
SCHEMBL18848277 0.58 TSHR (0.42) ALDH1A1LMNANPC1RAB9ARECQL
SCHEMBL18848345 0.58 TSHR (0.42) ALDH1A1LMNANPC1RAB9ARECQL

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-111050929-B Laminate and method for producing same AGC株式会社 2022-07-22 CN disclosed