SCHEMBL6968036

SCHEMBL6968036

COc1ccc2c(c1)c(OCc1c(C)noc1C)nn2Cc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.49
CNR2 P34972 3/20 0.49
KDM4E B2RXH2 3/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BRD4 O60885 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1C3 P42330 9/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL6977954 0.82 CNR2 (0.53) CNR1CNR2KDM4ETSHRLMNA
SCHEMBL6978209 0.76 CNR1 (0.49) CNR1CNR2KDM4ETSHRLMNA
SCHEMBL6975318 0.76 CNR1 (0.48) CNR1CNR2KDM4EALDH1A1ACHE
SCHEMBL8809942 0.75 KDM4E (0.58) CNR1CNR2KDM4ETSHRLMNA
SCHEMBL6974448 0.75 CNR1 (0.48) CNR1CNR2KDM4ETSHRLMNA
SCHEMBL6969375 0.73 TSHR (0.43) KDM4ETSHRLMNABRD4ALDH1A1
SCHEMBL8522018 0.73 TAS2R8 (0.46) KDM4ETSHRALDH1A1GAASMN1; SMN2
SCHEMBL6970785 0.73 LMNA (0.49) KDM4ETSHRLMNABRD4ALDH1A1
SCHEMBL6966885 0.73 KDM4E (0.50) CNR1CNR2KDM4ETSHRLMNA
SCHEMBL6969602 0.72 CNR2 (0.52) CNR1CNR2KDM4EGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077947-B1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS DRESDEN ARZNEIMITTEL (DE) 2003-09-03 EP claimed
EP-1077947-B1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS DRESDEN ARZNEIMITTEL (DE) 2003-09-03 EP disclosed