SCHEMBL9869688

SCHEMBL9869688

CNC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccccc4)c3c2Cl)C1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 4/20 0.60
ALDH1A1 P00352 2/20 0.56
POLB P06746 1/20 0.56
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
OPRM1 P35372 1/20 0.56
OPRD1 P41143 1/20 0.56
TOP2A P11388 12/20 0.50
TOP2B Q02880 10/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL10914005 0.90 TOP1 (0.53) TOP1ALDH1A1POLBCHRM2CHRM1
SCHEMBL9156782 0.85 ALDH1A1 (0.76) TOP1ALDH1A1POLBCHRM2CHRM1
SCHEMBL9870080 0.85 ALDH1A1 (0.51) TOP1ALDH1A1POLBCHRM2CHRM1
SCHEMBL9869932 0.83 ALDH1A1 (0.62) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL10374513 0.83 KDM4E (0.57) TOP1ALDH1A1POLBTOP2ATOP2B
SCHEMBL9869220 0.83 HPGD (0.62) TOP1ALDH1A1POLBCHRM2CHRM1
SCHEMBL9869795 0.82 KDM4E (0.58) TOP1ALDH1A1POLBCHRM2CHRM1
SCHEMBL9869882 0.81 TOP2A (0.61) TOP1ALDH1A1POLBCHRM2CHRM1
SCHEMBL10372519 0.80 KDM4E (0.70) TOP1ALDH1A1POLBTOP2ATOP2B
SCHEMBL12673781 0.80 ALDH1A1 (0.70) TOP1ALDH1A1POLBCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4981854-A BACTERICIDES, ANIMAL GROWTH REGUALTORS BAYER AKTIENGESELLSCHAFT (DE) 1991-01-01 US claimed
US-4980353-A BACTERICIDES, ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1990-12-25 US claimed
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