SCHEMBL9869412

SCHEMBL9869412

NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4)c3c2F)C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 15/20 0.61
TOP2B Q02880 10/20 0.61
TOP1 P11387 4/20 0.60
ALDH1A1 P00352 1/20 0.60
POLB P06746 1/20 0.60
CHRM2 P08172 1/20 0.60
CHRM1 P11229 1/20 0.60
OPRM1 P35372 1/20 0.60
OPRD1 P41143 1/20 0.60
KMT2A Q03164 1/20 0.56

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
Hydrochloric Acid SCHEMBL9869916 0.99 TOP2A (0.60) TOP2ATOP2BTOP1ALDH1A1POLB
SCHEMBL10371958 0.94 TOP2A (0.60) TOP2ATOP2BTOP1ALDH1A1POLB
SCHEMBL10375156 0.93 TOP2A (0.67) TOP2ATOP2BTOP1ALDH1A1POLB
Hydrochloric Acid SCHEMBL10373279 0.93 TOP2A (0.66) TOP2ATOP2BTOP1ALDH1A1POLB
SCHEMBL10373776 0.90 KDM4E (0.62) TOP2ATOP2BTOP1ALDH1A1POLB
Hydrochloric Acid SCHEMBL9773748 0.89 TOP1 (0.71) TOP2ATOP2BTOP1ALDH1A1POLB
SCHEMBL10914849 0.89 TOP1 (0.53) TOP2ATOP2BTOP1ALDH1A1POLB
SCHEMBL9869658 0.89 KMT2A (0.69) TOP2ATOP2BTOP1ALDH1A1POLB
SCHEMBL10895749 0.88 TOP1 (0.63) TOP2ATOP2BTOP1ALDH1A1POLB
SCHEMBL8130567 0.87 TOP2A (0.57) TOP2ATOP2BTOP1ALDH1A1POLB

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
EP-0201829-A1 1-Aryl-4-quinolone-3-carboxylic acids BAYER AG (DE) 1986-11-20 EP claimed
US-4981854-A BACTERICIDES, ANIMAL GROWTH REGUALTORS BAYER AKTIENGESELLSCHAFT (DE) 1991-01-01 US disclosed
US-4980353-A BACTERICIDES, ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1990-12-25 US disclosed
EP-0154780-B1 QUINOLINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1990-04-11 EP disclosed
US-4774246-A 6,8-DIFLUORO-4-OXO-3-CARBOXYLIC ACID DERIVATIVES ABBOTT LABORATORIES (US) 1988-09-27 US disclosed
EP-0201829-A1 1-Aryl-4-quinolone-3-carboxylic acids BAYER AG (DE) 1986-11-20 EP disclosed
US-4617308-A 7-substituted amino-1-aryl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids and derivatives thereof as antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-10-14 US disclosed
EP-0154780-A1 Quinoline antibacterial compounds ABBOTT LABORATORIES (US) 1985-09-18 EP disclosed