SCHEMBL7787073

SCHEMBL7787073

COc1ccc2c(c1)C(C(=O)Oc1c(F)ccc(F)c1F)c1cc(OC)ccc1N2C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CPS1 P31327 9/20 0.35
LMNA P02545 1/20 0.34
USP2 O75604 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MTNR1B P49286 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7787045 0.94 HDAC4 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7591680 0.91 SLC6A2 (0.37) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL914119 0.88 HDAC4 (0.39) ALDH1A1LMNANPC1POLBHTT
SCHEMBL8741716 0.87 SMN1; SMN2 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL14564644 0.86 MEN1 (0.32) POLBMEN1MAPTKMT2A
SCHEMBL7793213 0.82 MAPT (0.32) ALDH1A1LMNAMEN1GAAMAPT
SCHEMBL3859311 0.81 HDAC4 (0.48) ALDH1A1CYP1A2CYP2C19LMNASMN1; SMN2
SCHEMBL29382936 0.81 HDAC4 (0.48) ALDH1A1CYP1A2CYP2C19LMNASMN1; SMN2
SCHEMBL7592395 0.81 TAS1R3 (0.34) CYP1A2LMNANPC1POLBHTT
SCHEMBL38664719 0.81 ATM (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0750748-B1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 2001-12-05 EP claimed
US-5750698-A USEFUL IN DETECTING BOTH PEROXIDASE AND PEROXIDE LUMIGEN, INC. (US) 1998-05-12 US claimed
WO-1995023971-A1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1995-09-08 WO claimed
EP-0750748-B1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 2001-12-05 EP disclosed
US-5750698-A USEFUL IN DETECTING BOTH PEROXIDASE AND PEROXIDE LUMIGEN, INC. (US) 1998-05-12 US disclosed
US-5593845-A BY REACTION WITH PEROXIDES AND PEROXIDASE; DETECTION OF HAPTENS, PROTEINS, ANTIBODIES IN ENZYME IMMUNOASSAY LUMIGEN, INC. (US) 1997-01-14 US disclosed
WO-1995023971-A1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1995-09-08 WO disclosed