SCHEMBL23713573

SCHEMBL23713573

Cc1cc(N)c2c(c1)COC2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALOX15 P16050 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
IKBKB O14920 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL12872952 0.78 UGT2B17 (0.37) KDM4ESMN1; SMN2
SCHEMBL27102760 0.73 KDM4E (0.32) KDM4ELMNA
SCHEMBL29433292 0.72 KDM4E (0.30) ALDH1A1KDM4ELMNA
SCHEMBL22658197 0.72 KDM4E (0.30) ALDH1A1KDM4ELMNA
SCHEMBL34474161 0.71 ALDH1A1 (0.31) ALDH1A1KDM4EGAAMAPTALOX15
SCHEMBL20368612 0.69 ALDH1A1 (0.33) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL25686568 0.68 MEN1 (0.43) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL31041449 0.68 HSP90AA1 (0.38) ALDH1A1KDM4EGAAHSD17B10
SCHEMBL26347421 0.67 KDM4E (0.32) KDM4E
SCHEMBL19906479 0.67 CYP3A4 (0.46) ALDH1A1GAAMAPTTDP1ALOX15

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-2021151974-A1 INTERFERING WITH MRNA SPLICING TO ENHANCE RESPONSE TO CHECKPOINT IMMUNOTHERAPIES. STICHTING HET NEDERLANDS KANKER INSTITUUT - ANTONI VAN LEEUWENHOEK ZIEKENHUIS (NL) 2021-08-05 WO disclosed