SCHEMBL6963364

SCHEMBL6963364

COc1ccc(NC(=O)COc2nn(S(=O)(=O)c3ccc(C)cc3)c3ccc(OC)cc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HPGD P15428 1/20 0.54
MAPT P10636 4/20 0.52
ALDH1A1 P00352 5/20 0.51
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.51
KDM4E B2RXH2 2/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KCNH2 Q12809 1/20 0.48
TP53 P04637 1/20 0.47
LMNA P02545 2/20 0.47
GLA P06280 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL6975922 0.85 NPC1 (0.43) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL6970855 0.85 KCNA5 (0.53) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL6969751 0.84 SGMS1 (0.47) KMT2AALDH1A1CYP2C19TP53LMNA
SCHEMBL6977607 0.84 KCNH2 (0.40) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL6975974 0.81 AKR1C3 (0.48) MEN1KMT2AMAPTKDM4ECYP2C9
SCHEMBL6972542 0.80 MAPT (0.47) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6967437 0.79 KMT2A (0.43) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6976503 0.79 MAPT (0.41) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6977877 0.78 HTR6 (0.46) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL6962516 0.78 MAPT (0.45) MEN1KMT2AMAPTALDH1A1KDM4E

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 1 patent. 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