SCHEMBL8202076

SCHEMBL8202076

CC1OCc2c(F)c(F)cc3c(=O)c(OC(=O)O)cn1c23

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
KDM4E B2RXH2 7/20 0.36
KMT2A Q03164 1/20 0.36
TOP2A P11388 6/20 0.35
TOP2B Q02880 6/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
ALB P02768 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
AADAT Q8N5Z0 2/20 0.35
POLB P06746 2/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35

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
SCHEMBL8204201 0.87 CNR1 (0.36) LMNAKDM4EKMT2ATOP2ATOP2B
SCHEMBL8206695 0.86 STAT3 (0.38) LMNAKDM4EKMT2ATOP2ATOP2B
SCHEMBL10432848 0.85 LMNA (0.51) LMNAKDM4EKMT2ATOP2ATOP2B
SCHEMBL9033931 0.84 LMNA (0.43) LMNAKDM4EKMT2ATOP2ATOP2B
SCHEMBL8206595 0.84 KDM4E (0.51) LMNAKDM4ETOP2AALDH1A1HPGD
SCHEMBL8913187 0.83 CNR1 (0.31) CNR1CNR2
SCHEMBL8320158 0.82 LMNA (0.53) LMNAKDM4EKMT2ATOP2ATOP2B
SCHEMBL8202206 0.82 KDM4E (0.30) LMNAKDM4ESMN1; SMN2CYP1A2
SCHEMBL8911920 0.80 LMNA (0.33) LMNAKDM4EKMT2ATOP2ATOP2B
SCHEMBL10433195 0.80 STAT3 (0.50) LMNAKDM4EKMT2ATOP2ATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770083-B1 PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES BAYER AG (DE) 2000-08-30 EP disclosed
EP-0770083-A1 PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES BAYER AG (DE) 1997-05-02 EP disclosed
WO-1996001829-A1 PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1996-01-25 WO disclosed