SCHEMBL9869653

SCHEMBL9869653

CCN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccccc4)c3c2[N+](=O)[O-])CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.51
TOP1 P11387 3/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 4/20 0.49
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.44
HSP90AA1 P07900 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TOP2A P11388 5/20 0.44
TOP2B Q02880 3/20 0.44
ADRA2B P18089 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL10914802 0.90 PIM1 (0.41) PIM1TOP1HPGDHSD17B10KDM4E
SCHEMBL9869314 0.90 TOP1 (0.60) PIM1TOP1HPGDHSD17B10KDM4E
Hydrochloric Acid SCHEMBL9870957 0.89 TOP1 (0.59) PIM1TOP1HPGDHSD17B10KDM4E
SCHEMBL9870372 0.88 HPGD (0.61) TOP1HPGDHSD17B10KDM4EALDH1A1
SCHEMBL10913380 0.82 KDM4E (0.55) PIM1TOP1HPGDHSD17B10KDM4E
Hydrochloric Acid SCHEMBL9870882 0.81 KDM4E (0.54) PIM1TOP1HPGDHSD17B10KDM4E
SCHEMBL10914433 0.81 HPGD (0.55) PIM1TOP1HPGDHSD17B10KDM4E
SCHEMBL10584919 0.80 TOP1 (0.49) PIM1TOP1HPGDHSD17B10KDM4E
Hydrochloric Acid SCHEMBL9870344 0.80 HPGD (0.54) PIM1TOP1HPGDHSD17B10KDM4E
SCHEMBL6213952 0.78 PIM1 (0.58) PIM1TOP1HPGDHSD17B10KDM4E

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