SCHEMBL23969775

SCHEMBL23969775

CC1C=CC(c2ccc(Cn3c(-c4ccc(P(=O)(O)O)cc4)nc4c3c(=O)[nH]c(=O)n4C)cc2)=CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPK1 P28482 4/20 0.43
POLB P06746 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SIRT5 Q9NXA8 1/20 0.42
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
BRDT Q58F21 1/20 0.40
DCTPP1 Q9H773 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL17845823 0.82 KDM4E (0.56) ALDH1A1MAPK1POLBMEN1KMT2A
SCHEMBL17859661 0.70 KDM4E (0.49) TSHRALDH1A1MAPK1POLBMEN1
SCHEMBL17859685 0.67 HPGD (0.55) TSHRALDH1A1MAPK1NPSR1HPGD
SCHEMBL18834052 0.63 ATM (0.72) TSHRALDH1A1MAPK1POLBMEN1
SCHEMBL17522955 0.62 TSHR (0.67) TSHRALDH1A1MAPK1POLBSIRT5
SCHEMBL27411452 0.62 ALDH1A1 (0.67) TSHRALDH1A1MAPK1POLBMEN1
SCHEMBL15924451 0.62 KMT2A (0.58) TSHRALDH1A1MAPK1POLBMEN1
SCHEMBL17845827 0.62 RECQL (0.67) TSHRALDH1A1MAPK1POLBMEN1
SCHEMBL6348692 0.62 BRAF (0.72) TSHRALDH1A1MAPK1POLBMEN1
SCHEMBL20652970 0.61 ATM (0.62) TSHRALDH1A1MAPK1POLBMEN1

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
EP-3904366-A1 END CAPPED NUCLEIC ACID MOLECULES Novartis AG (CH) 2021-11-03 EP disclosed