SCHEMBL24316659

SCHEMBL24316659

COc1ccc(COc2ncc(Oc3ccc4ncc(C)c(=O)n4c3)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.40
PDE1A P54750 7/20 0.37
PDE1B Q01064 7/20 0.37
PDE1C Q14123 7/20 0.37
GRM5 P41594 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
USP2 O75604 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CLK1 P49759 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL24316623 0.90 P2RX3 (0.39) ALKBH1GRM5ALDH1A1KDM4ERXRA
SCHEMBL24316428 0.88 ALKBH1 (0.39) ALKBH1PDE1APDE1BPDE1CGRM5
SCHEMBL24316545 0.86 CSF1R (0.43) ALKBH1PDE1APDE1BPDE1CGRM5
SCHEMBL24316434 0.85 CSF1R (0.53) ALKBH1PDE1APDE1BPDE1CGRM5
SCHEMBL24316565 0.84 CSF1R (0.44) ALKBH1PDE1APDE1BPDE1CGRM5
SCHEMBL24316660 0.81 CSF1R (0.40) ALKBH1GRM5ALDH1A1KDM4EPKM
SCHEMBL24316658 0.80 CSF1R (0.42) ALKBH1PDE1APDE1BPDE1CGRM5
SCHEMBL24316982 0.80 CSF1R (0.48) ALKBH1GRM5ALDH1A1KDM4EPKM
SCHEMBL24316436 0.80 KDM4E (0.37) GRM5ALDH1A1KDM4EUSP2CYP1A2
SCHEMBL24316432 0.79 ACACB (0.37) ALKBH1GRM5ALDH1A1HPGDUSP2

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-2022057895-A1 HETEROAROMATIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2022-03-24 WO disclosed