SCHEMBL9869795

SCHEMBL9869795

CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccccc4)c3c2Cl)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.58
HPGD P15428 4/20 0.57
HSD17B10 Q99714 4/20 0.57
ADRA2B P18089 1/20 0.56
MAPK1 P28482 1/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
TOP2A P11388 4/20 0.55
TOP1 P11387 2/20 0.55
ALDH1A1 P00352 7/20 0.55
ALB P02768 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
POLB P06746 3/20 0.52
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 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
SCHEMBL9870287 0.91 KDM4E (0.67) KDM4EHPGDHSD17B10ADRA2BMAPK1
SCHEMBL9869220 0.91 HPGD (0.62) KDM4EHPGDHSD17B10TOP2ATOP1
Hydrochloric Acid SCHEMBL9870743 0.90 KDM4E (0.66) KDM4EHPGDHSD17B10ADRA2BMAPK1
SCHEMBL10912342 0.89 KDM4E (0.48) KDM4EHPGDHSD17B10ADRA2BMAPK1
SCHEMBL9869882 0.88 TOP2A (0.61) KDM4EHPGDHSD17B10LMNATOP2A
SCHEMBL10913133 0.86 KDM4E (0.64) KDM4EHPGDHSD17B10ADRA2BMAPK1
Hydrochloric Acid SCHEMBL9870692 0.85 KDM4E (0.63) KDM4EHPGDHSD17B10ADRA2BMAPK1
SCHEMBL9869314 0.85 TOP1 (0.60) KDM4EHPGDHSD17B10ADRA2BMAPK1
SCHEMBL9433392 0.84 MEN1 (0.58) KDM4EHPGDHSD17B10ADRA2BMAPK1
Hydrochloric Acid SCHEMBL9870957 0.84 TOP1 (0.59) KDM4EHPGDHSD17B10ADRA2BMAPK1

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