SCHEMBL22124455

SCHEMBL22124455

c1ccc2c3cc[nH]cc-3occcc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 5/20 0.41
HSD17B10 Q99714 5/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.41
NFKB1 P19838 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 7/20 0.38
HPGD P15428 6/20 0.38

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
SCHEMBL157996 0.76 KDM4E (0.46) KDM4EKMT2AMAPTHSD17B10MEN1
SCHEMBL30386272 0.72 TDP1 (0.44) KDM4EKMT2AMAPTHSD17B10MEN1
SCHEMBL20740270 0.72 TDP1 (0.44) KDM4EKMT2AMAPTHSD17B10MEN1
SCHEMBL26259380 0.68 KDM4E (0.48) KDM4EKMT2AMAPTHSD17B10MEN1
SCHEMBL2239779 0.67 ALDH1A1 (0.40) KDM4EKMT2AMAPTHSD17B10MEN1
SCHEMBL7760207 0.67 IDO1 (0.44) KDM4EKMT2AMAPTHSD17B10MEN1
SCHEMBL7101479 0.66 TAAR1 (0.47) KDM4EKMT2AMAPTHSD17B10MEN1
SCHEMBL26259566 0.64 POLB (0.48) KDM4EKMT2AMAPTHSD17B10MEN1
SCHEMBL1310537 0.63 KMT2A (0.62) KDM4EKMT2AMAPTHSD17B10MEN1
SCHEMBL19662084 0.63 TDP1 (0.47) KDM4EKMT2AMAPTHSD17B10MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898633-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-10-27 EP disclosed
WO-2020127504-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed