SCHEMBL9869882

SCHEMBL9869882

O=C(O)c1cn(-c2ccccc2)c2c(Cl)c(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.61
TOP2B Q02880 5/20 0.61
TOP1 P11387 2/20 0.55
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 8/20 0.55
HPGD P15428 6/20 0.55
HSD17B10 Q99714 6/20 0.55
LMNA P02545 4/20 0.55
CYP2C9 P11712 3/20 0.50
CYP3A4 P08684 1/20 0.50
POLB P06746 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
HSP90AA1 P07900 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CYP1A2 P05177 1/20 0.46
BRD4 O60885 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL9869220 0.91 HPGD (0.62) TOP2ATOP2BTOP1ALDH1A1KDM4E
SCHEMBL9088225 0.90 HPGD (0.64) TOP2ATOP2BTOP1ALDH1A1KDM4E
SCHEMBL10914429 0.89 TOP2A (0.49) TOP2ATOP2BTOP1ALDH1A1KDM4E
SCHEMBL9869795 0.88 KDM4E (0.58) TOP2ATOP2BTOP1ALDH1A1KDM4E
SCHEMBL9869932 0.87 ALDH1A1 (0.62) TOP2ATOP2BALDH1A1KDM4EHPGD
SCHEMBL29690159 0.87 TOP2A (0.56) TOP2ATOP2BTOP1ALDH1A1KDM4E
SCHEMBL28942268 0.87 TOP2A (0.56) TOP2ATOP2BTOP1ALDH1A1KDM4E
SCHEMBL10375142 0.86 HPGD (0.65) TOP2ATOP2BTOP1ALDH1A1KDM4E
SCHEMBL10769256 0.85 TOP2A (0.59) TOP2ATOP2BTOP1ALDH1A1KDM4E
SCHEMBL29690006 0.85 TOP2A (0.59) TOP2ATOP2BTOP1ALDH1A1KDM4E

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 6 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
EP-0201829-A1 1-Aryl-4-quinolone-3-carboxylic acids BAYER AG (DE) 1986-11-20 EP disclosed