SCHEMBL8566201

SCHEMBL8566201

Cc1c(N2CCN(C)CC2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
ADRA2B P18089 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 3/20 0.43
ALB P02768 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TUBB4A P04350 1/20 0.41
POLB P06746 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41

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 SCHEMBL7506073 0.99 KDM4E (0.44) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL14515902 0.92 SCN5A (0.40) KDM4EADRA2BMAPK1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL8136064 0.91 KDM4E (0.48) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL5287505 0.89 SCN5A (0.38) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL8601235 0.89 SCN5A (0.42) ALDH1A1POLBSCN5AKCNH2TOP1
SCHEMBL5279980 0.89 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10HRH3
Hydrochloric Acid SCHEMBL7553048 0.88 SCN5A (0.42) KDM4EALDH1A1HPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL7502813 0.88 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10HRH3
Hydrochloric Acid SCHEMBL8131121 0.88 KDM4E (0.43) KDM4EADRA2BMAPK1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL8128548 0.88 KDM4E (0.43) KDM4EADRA2BMAPK1ALDH1A1HPGD

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-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US claimed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed