SCHEMBL7306085

SCHEMBL7306085

CCCn1nc(C(=O)O)c(=O)c2cc(F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 10/20 0.53
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HCAR3 P49019 1/20 0.40
SSTR5 P35346 1/20 0.40
PLK1 P53350 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7297157 0.90 ALDH1A1 (0.47) KDM4CKDM4EALDH1A1LMNATSHR
SCHEMBL7306471 0.81 KDM4C (0.50) KDM4CKDM4EALDH1A1LMNATSHR
SCHEMBL11154799 0.78 ALDH1A1 (0.82) KDM4CKDM4EALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL7308170 0.77 HTR3A (0.59) ALDH1A1TSHRHSD17B10
SCHEMBL15792324 0.76 KDM4C (0.46) KDM4CKDM4EALDH1A1LMNAKMT2A
SCHEMBL19597086 0.75 ADORA2A (0.65) KDM4CKDM4EALDH1A1LMNAKMT2A
SCHEMBL7300207 0.74 KMT2A (0.45) KDM4CKDM4EALDH1A1LMNATSHR
SCHEMBL7297551 0.74 RORC (0.40) KDM4CKDM4EALDH1A1LMNATSHR
SCHEMBL24247693 0.74 KDM4C (0.57) KDM4CKDM4EALDH1A1LMNATSHR
SCHEMBL3017718 0.74 TSHR (0.53) KDM4CKDM4EALDH1A1TSHRPMP22

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560604-B1 Cinnoline-3-carboxylic acid derivatives as 5-HT3 antagonists MITSUBISHI CHEM CORP (JP) 1997-01-29 EP disclosed
US-5556851-A TREATMENT OF NAUSEA OR EMESIS FROM ANTICANCER DRUGS OR X-RAY TREATMENT MITSUBISHI CHEMICAL CORPORATION (JP) 1996-09-17 US disclosed
US-5391549-A Antagonistifc activity against serotonin 5HT3 receptors MITSUBISHI KASEI CORPORATION (JP) 1995-02-21 US disclosed
EP-0560604-A1 Cinnoline-3-carboxylic acid derivatives as 5-HT3 antagonists Mitsubishi Chemical Corporation (JP) 1993-09-15 EP disclosed