SCHEMBL23744199

SCHEMBL23744199

C=Cc1ccccc1OC#N

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 4/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL19887686 0.82 ALDH1A1 (0.32) ALDH1A1HPGDTSHRMAPK1HSD17B10
Ethylene SCHEMBL27752633 0.77 CA12 (0.35) TSHRGAA
SCHEMBL159732 0.77 CA1 (0.38) ALDH1A1TSHRGAA
SCHEMBL30159634 0.77 CA1 (0.38) ALDH1A1TSHRGAA
SCHEMBL29032542 0.76 NFE2L2 (0.39) ALDH1A1KDM4EMAPTKMT2ALMNA
SCHEMBL2331789 0.76 ALDH1A1 (0.44) ALDH1A1KMT2ALMNAHPGDTSHR
SCHEMBL297297 0.75 ALDH1A1 (0.48) ALDH1A1MAPTKMT2ALMNAHPGD
SCHEMBL10614570 0.75 NFE2L2 (0.59) CYP1A2
SCHEMBL1532463 0.75 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTKMT2ALMNA
SCHEMBL10614563 0.75 NFE2L2 (0.59) CYP1A2

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
US-20210246270-A1 ACTINICALLY-CROSSLINKABLE POLYSILOXANE-POLYGLYCEROL BLOCK COPOLYMERS AND METHODS OF MAKING AND USE THEREOF Clearlab Sg Pte Ltd. (SG) 2021-08-12 US disclosed