SCHEMBL25818716

SCHEMBL25818716

Cc1cc2c(cc1O)nc(C)n2C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
LMNA P02545 3/20 0.55
ALDH1A1 P00352 2/20 0.55
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
ESRRA P11474 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
HDAC1 Q13547 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL25818717 0.92 KDM4E (0.55) KDM4ELMNAALDH1A1CHRNB2CHRNA4
SCHEMBL15233270 0.88 KDM4E (0.58) KDM4ELMNAALDH1A1CHRNB2CHRNA4
SCHEMBL862261 0.84 KDM4E (0.62) KDM4ELMNAALDH1A1CHRNB2CHRNA4
SCHEMBL13916682 0.81 KDM4E (0.69) KDM4ELMNAALDH1A1CHRNB2CHRNA4
SCHEMBL13916685 0.79 KDM4E (0.67) KDM4ELMNAALDH1A1CHRNB2CHRNA4
SCHEMBL17300601 0.79 KDM4E (0.40) KDM4ELMNAALDH1A1CHRNB2CHRNA4
SCHEMBL2267059 0.79 LMNA (0.49) KDM4ELMNAALDH1A1CHRNB2CHRNA4
SCHEMBL17561697 0.77 KDM4E (0.55) KDM4ELMNAALDH1A1CHRNB2CHRNA4
SCHEMBL10151106 0.74 KDM4E (0.51) KDM4ELMNAALDH1A1CHRNB2CHRNA4
SCHEMBL16103838 0.74 LMNA (0.51) KDM4ELMNAALDH1A1CHRNB2CHRNA4

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-2023133217-A1 2-(INDAZOL-5-YL)-6-(PIPERIDIN-4-YL)-1,7-NAPHTHYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES REMIX THERAPEUTICS INC. (US) 2023-07-13 WO disclosed