SCHEMBL6971919

SCHEMBL6971919

C#Cc1cc(Cl)cc2nc(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)oc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 6/20 0.33
TSHR P16473 3/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
HIF1A Q16665 3/20 0.33
MAPK1 P28482 3/20 0.33
MEN1 O00255 2/20 0.33
TP53 P04637 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
BLM P54132 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GMNN O75496 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
SCHEMBL8324863 0.83 DHFR (0.33) DHFR
SCHEMBL6972804 0.82 DHFR (0.38) DHFRALDH1A1TSHRLMNAGAA
SCHEMBL7310660 0.81 DHFR (0.33) DHFR
SCHEMBL6964996 0.80 PTGDR2 (0.38) DHFRGAAMEN1KMT2ANPC1
SCHEMBL7733912 0.75 NPC1 (0.31) NPC1RAB9A
SCHEMBL7735172 0.69 SMN1; SMN2 (0.59) DHFRALDH1A1TSHRLMNAGAA
SCHEMBL6969232 0.69 DHFR (0.39) DHFRALDH1A1TSHRLMNAGAA
SCHEMBL6960215 0.68 GAA (0.36) DHFRGAAMEN1KMT2A
SCHEMBL39559 0.64 ALDH1A1 (0.63) DHFRALDH1A1TSHRLMNAGAA
SCHEMBL2292879 0.63 DHFR (0.54) DHFRALDH1A1TSHRLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785927-B1 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 2003-08-27 EP disclosed
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed
US-6365606-B1 TREATMENT OF DISEASES WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF CYTOKINES; SIDE EFFECT REDUCTION; ISOINDOLES; BRONCHODILATOR; ANTI-INFLAMMATORY AGENT EURO-CELTIQUE, S.A. (LU) 2002-04-02 US disclosed
EP-1160247-A1 6,5-Fused aromatic ring systems having enhanced phosphodiesterae IV inhibitory activity Euro-Celtique S.A. (LU) 2001-12-05 EP disclosed
US-6075016-A 6,5-fused aromatic ring systems having enhanced phosphodiesterase IV inhibitory activity EURO-CELTIQUE S.A. (LU) 2000-06-13 US disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
US-5665737-A PHOSPHODIESTERASE INHIBITORS EURO-CELTIQUE, S.A. (LU) 1997-09-09 US disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed