SCHEMBL8337308

SCHEMBL8337308

C#Cc1c(F)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.45
TOP2B Q02880 8/20 0.45
ALDH1A1 P00352 6/20 0.41
POLB P06746 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
KDM4E B2RXH2 8/20 0.41
CYP1A2 P05177 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
HSP90AA1 P07900 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALB P02768 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL9096255 1.00 TOP2A (0.45) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL13341758 0.89 TOP2A (0.45) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL8339253 0.86 TOP2A (0.60) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL9238539 0.86 TOP2A (0.33) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL8132889 0.86 TOP2A (0.33) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL500455 0.86 TOP2A (0.53) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL7607382 0.86 TOP2A (0.53) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL9096661 0.86 TOP2A (0.53) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL7510943 0.83 TOP2A (0.50) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL967193 0.83 ALDH1A1 (0.53) TOP2ATOP2BALDH1A1POLBCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990122-A SUBSTITUTED IN THE 7-POSITION BY A TRICYCLIC AMINE RADICAL; REDUCED GENOTOXIC PROPERTIES AND INCREASED ANTIBACTERIAL ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed
US-5986105-A ENANTIOMORPHS AS BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-11-16 US disclosed
US-5783708-A HEXAHYDROISOINDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
US-5753669-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-05-19 US disclosed
US-5703094-A Quinolone- and naphthyridonecarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed
US-5679689-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
US-5605910-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-25 US disclosed
US-5545642-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-08-13 US disclosed