SCHEMBL9869685

SCHEMBL9869685

CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4)c3c2F)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
KDM4E B2RXH2 10/20 0.66
HPGD P15428 5/20 0.58
HSD17B10 Q99714 5/20 0.58
ADRA2B P18089 1/20 0.57
MAPK1 P28482 1/20 0.57
TOP1 P11387 2/20 0.57
TOP2A P11388 1/20 0.57
ALDH1A1 P00352 7/20 0.56
POLB P06746 2/20 0.56
HSP90AA1 P07900 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
ALB P02768 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54

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
SCHEMBL10631508 0.93 KDM4E (0.65) LMNAMEN1KMT2AKDM4EHPGD
SCHEMBL9870287 0.93 KDM4E (0.67) LMNAMEN1KMT2AKDM4EHPGD
SCHEMBL10913133 0.92 KDM4E (0.64) LMNAMEN1KMT2AKDM4EHPGD
Hydrochloric Acid SCHEMBL9870743 0.92 KDM4E (0.66) LMNAMEN1KMT2AKDM4EHPGD
SCHEMBL9869629 0.92 KDM4E (0.66) LMNAMEN1KMT2AKDM4EHPGD
Hydrochloric Acid SCHEMBL9870692 0.91 KDM4E (0.63) LMNAMEN1KMT2AKDM4EHPGD
SCHEMBL10371828 0.91 KDM4E (0.65) LMNAMEN1KMT2AKDM4EHPGD
SCHEMBL10629384 0.89 KDM4E (0.61) LMNAMEN1KMT2AKDM4EHPGD
SCHEMBL10913380 0.89 KDM4E (0.55) LMNAMEN1KMT2AKDM4EHPGD
SCHEMBL9870203 0.89 KDM4E (0.66) LMNAMEN1KMT2AKDM4EHPGD

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
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-0318468-A1 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid and its derivatives BAYER AG (DE) 1989-05-31 EP disclosed
EP-0201829-A1 1-Aryl-4-quinolone-3-carboxylic acids BAYER AG (DE) 1986-11-20 EP disclosed