SCHEMBL8569181

SCHEMBL8569181

CC1COc2cc(F)cn3c(=O)c(C(=O)O)cc1c23

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ TOP2A P11388 4/20 0.33
▸ TOP2B Q02880 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ALB P02768 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ AADAT Q8N5Z0 2/20 0.32
▸ TUBB4A P04350 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 1/20 0.32
▸ TUBA4A P68366 1/20 0.32
▸ TUBB4B P68371 1/20 0.32
▸ TUBB3 Q13509 1/20 0.32

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
SCHEMBL4747738 0.79 TOP2A (0.39) KDM4ESMN1; SMN2CYP1A2KMT2ATOP2A
SCHEMBL8568882 0.73 KDM4E (0.57) KDM4ETOP2AALDH1A1HPGDHSD17B10
SCHEMBL8576863 0.73 KDM4E (0.57) KDM4ETOP2AALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL8570439 0.73 KDM4E (0.56) KDM4ETOP2AALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9074218 0.73 KDM4E (0.45) KDM4EKMT2ATOP2ATOP2BALDH1A1
Hydrochloric Acid SCHEMBL9073984 0.73 KDM4E (0.45) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL1289900 0.72 NOTUM (0.39) KDM4ESMN1; SMN2CYP1A2TOP2ATOP2B
Hydrochloric Acid SCHEMBL8563725 0.71 NOTUM (0.38) KDM4ESMN1; SMN2CYP1A2TOP2ATOP2B
SCHEMBL8574268 0.71 TOP2A (0.45) KDM4ETOP2ATOP2BALDH1A1HPGD
SCHEMBL8565469 0.71 TOP2A (0.45) KDM4ETOP2ATOP2BALDH1A1HPGD

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-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 — — EP disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 — — WO disclosed
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