SCHEMBL30639591

SCHEMBL30639591

O=C(OCc1ccccc1)c1ccnc2ccc(F)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.55
PLA2G2A P14555 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
RAB9A P51151 2/20 0.49
TSHR P16473 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 3/20 0.46
EGLN1 Q9GZT9 1/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
STAT1 P42224 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 2/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL27957250 0.84 POLB (0.56) DHODHL3MBTL1RAB9ATSHRCASP3
SCHEMBL30747808 0.82 TSHR (0.58) L3MBTL1RAB9ATSHRPOLBALDH1A1
SCHEMBL27957258 0.78 ALDH1A1 (0.47) L3MBTL1TSHRPOLBALDH1A1TDP1
SCHEMBL22492342 0.77 PLA2G2A (0.54) DHODHPLA2G2AL3MBTL1KDM4ELMNA
SCHEMBL7372413 0.76 LMNA (0.60) DHODHALDH1A1KDM4EGAALMNA
SCHEMBL522838 0.76 ALDH1A1 (0.57) DHODHL3MBTL1RAB9ATSHRPOLB
SCHEMBL6133440 0.75 FFAR4 (0.58) L3MBTL1RAB9ATSHRPOLBALDH1A1
SCHEMBL31371501 0.75 FFAR4 (0.58) L3MBTL1RAB9ATSHRPOLBALDH1A1
SCHEMBL1646547 0.75 HTT (0.57) L3MBTL1POLBALDH1A1TDP1KDM4E
SCHEMBL21007975 0.74 TDP1 (0.67) DHODHL3MBTL1RAB9ATSHRPOLB

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
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 CN disclosed