SCHEMBL9869314

SCHEMBL9869314

CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccccc4)c3c2[N+](=O)[O-])CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.60
KDM4E B2RXH2 9/20 0.55
HPGD P15428 4/20 0.54
HSD17B10 Q99714 4/20 0.54
ADRA2B P18089 1/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
TOP2A P11388 5/20 0.52
ALDH1A1 P00352 6/20 0.52
PIM1 P11309 1/20 0.51
ALB P02768 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
POLB P06746 2/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49

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
Hydrochloric Acid SCHEMBL9870957 0.99 TOP1 (0.59) TOP1KDM4EHPGDHSD17B10ADRA2B
SCHEMBL9869653 0.90 PIM1 (0.51) TOP1KDM4EHPGDHSD17B10ADRA2B
SCHEMBL10584919 0.90 TOP1 (0.49) TOP1KDM4EHPGDHSD17B10ADRA2B
SCHEMBL9870287 0.87 KDM4E (0.67) TOP1KDM4EHPGDHSD17B10ADRA2B
Hydrochloric Acid SCHEMBL9870743 0.86 KDM4E (0.66) TOP1KDM4EHPGDHSD17B10ADRA2B
SCHEMBL9869795 0.85 KDM4E (0.58) TOP1KDM4EHPGDHSD17B10ADRA2B
SCHEMBL10669422 0.85 KDM4E (0.58) TOP1KDM4EHPGDHSD17B10ADRA2B
SCHEMBL10664056 0.83 KDM4E (0.56) TOP1KDM4EHPGDHSD17B10ADRA2B
SCHEMBL10672942 0.83 KDM4E (0.56) TOP1KDM4EHPGDHSD17B10ADRA2B
Hydrochloric Acid SCHEMBL10669877 0.82 KDM4E (0.56) TOP1KDM4EHPGDHSD17B10ADRA2B

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
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