SCHEMBL11050375

SCHEMBL11050375

CC1CN(C)c2c(-c3ccccc3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 11/20 0.55
TOP2B Q02880 11/20 0.55
LMNA P02545 1/20 0.51
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALB P02768 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
AADAT Q8N5Z0 2/20 0.49
TUBB4A P04350 1/20 0.49
POLB P06746 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49

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
SCHEMBL11053850 0.88 TOP2A (0.43) TOP2ATOP2BLMNAKDM4EALDH1A1
SCHEMBL9461537 0.80 KDM4E (0.69) TOP2ALMNAKDM4EALDH1A1HPGD
SCHEMBL9461021 0.77 KDM4E (0.65) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10943767 0.76 KDM4E (0.43) TOP2ATOP2BLMNAKDM4EALDH1A1
SCHEMBL10945685 0.76 KDM4E (0.63) TOP2ATOP2BLMNAKDM4EALDH1A1
SCHEMBL9871406 0.75 KDM4E (0.44) TOP2ATOP2BLMNAKDM4EALDH1A1
SCHEMBL10744176 0.72 TOP2A (0.61) TOP2ATOP2BLMNAKDM4EALDH1A1
SCHEMBL11183972 0.71 LMNA (0.72) TOP2ATOP2BLMNAKDM4EALDH1A1
SCHEMBL9036040 0.71 LMNA (0.61) TOP2ATOP2BLMNAKDM4EALDH1A1
SCHEMBL9582225 0.71 LMNA (0.61) TOP2ATOP2BLMNAKDM4EALDH1A1

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
US-4443447-A Phenyl-substituted tricyclic antibacterial agents RIKER LABORATORIES, INC. (US) 1984-04-17 US disclosed