SCHEMBL24050329

SCHEMBL24050329

C=C(C)c1ccccc1NC=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
TSHR P16473 1/20 0.41
CLCN2 P51788 1/20 0.40
ALDH1A1 P00352 7/20 0.39
POLB P06746 4/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 2/20 0.36
PABPC1 P11940 1/20 0.36
KDM4E B2RXH2 5/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
ATM Q13315 1/20 0.35
HSD17B10 Q99714 3/20 0.35
NPC1 O15118 2/20 0.35
NFKB1 P19838 2/20 0.35
RAB9A P51151 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 2/20 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
SCHEMBL29467931 0.82 RXFP1 (0.49) RXFP1TSHRALDH1A1POLBCYP2C19
SCHEMBL13068158 0.82 CLCN2 (0.38) CLCN2ALDH1A1POLBCYP2C19KMT2A
SCHEMBL3900033 0.82 RXFP1 (0.49) RXFP1TSHRALDH1A1POLBCYP2C19
SCHEMBL13010710 0.78 RXFP1 (0.40) RXFP1TSHRALDH1A1POLBCYP2C19
SCHEMBL23864686 0.77 CLCN2 (0.49) CLCN2ALDH1A1POLBCYP2C19KMT2A
SCHEMBL28339060 0.77 ALDH1A1 (0.48) RXFP1TSHRALDH1A1POLBCYP2C19
SCHEMBL29413047 0.76 ALDH1A1 (0.57) RXFP1TSHRALDH1A1POLBKMT2A
SCHEMBL501876 0.76 ALDH1A1 (0.57) RXFP1TSHRALDH1A1POLBKMT2A
SCHEMBL29483352 0.76 KDM4E (0.65) TSHRALDH1A1POLBCYP2C19KMT2A
SCHEMBL2442267 0.76 KDM4E (0.65) TSHRALDH1A1POLBCYP2C19KMT2A

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-2021236489-A1 BIOMASS DERIVED DIKETONES AS EFFICIENT VISIBLE LIGHT PHOTOINITIATORS BOWLING GREEN STATE UNIVERSITY (US) 2021-11-25 WO disclosed