SCHEMBL9871193

SCHEMBL9871193

CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2F)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.64
TOP1 P11387 4/20 0.62
TOP2A P11388 3/20 0.62
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
ADRA2B P18089 1/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 5/20 0.55
HPGD P15428 4/20 0.55
HSD17B10 Q99714 4/20 0.55
POLB P06746 2/20 0.54
HSP90AA1 P07900 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
ALB P02768 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52

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
SCHEMBL9870380 0.92 KDM4E (0.64) KDM4ETOP1TOP2AKMT2AMEN1
SCHEMBL10629481 0.91 KDM4E (0.63) KDM4ETOP1TOP2AKMT2AMEN1
SCHEMBL9870883 0.89 TOP2A (0.61) KDM4ETOP1TOP2AKMT2AMEN1
SCHEMBL9188127 0.89 KMT2A (0.58) KDM4ETOP1TOP2AKMT2AMEN1
SCHEMBL10914229 0.88 KDM4E (0.52) KDM4ETOP1TOP2AKMT2AMEN1
Hydrochloric Acid SCHEMBL9773694 0.88 TOP1 (0.56) KDM4ETOP1TOP2AKMT2AMEN1
Hydrochloric Acid SCHEMBL9773692 0.88 TOP1 (0.56) KDM4ETOP1TOP2AKMT2AMEN1
SCHEMBL9869685 0.88 LMNA (0.68) KDM4ETOP1TOP2AKMT2AMEN1
SCHEMBL10635665 0.88 KDM4E (0.59) KDM4ETOP1TOP2AKMT2AMEN1
Hydrochloric Acid SCHEMBL9690870 0.87 KDM4E (0.49) KDM4ETOP1TOP2AKMT2AMEN1

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