SCHEMBL5214513

SCHEMBL5214513

Cc1cccc(NC(=O)NCNC(=O)c2cccnc2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
TSHR P16473 2/20 0.55
KCNK3 O14649 1/20 0.54
NAMPT P43490 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 1/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
RAB9A P51151 1/20 0.52
IMPDH2 P12268 1/20 0.52
BRAF P15056 1/20 0.52

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
SCHEMBL5215208 0.86 RAB9A (0.60) TDP1NAMPTCYP1A2CYP3A4SMN1; SMN2
SCHEMBL5218284 0.85 KCNK3 (0.58) KCNK3NAMPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL259177 0.85 TDP1 (0.78) TDP1TSHRKCNK3NAMPTCYP1A2
SCHEMBL5215050 0.83 KMT2A (0.59) TDP1TSHRNAMPTCYP1A2CYP2C9
SCHEMBL9192069 0.79 KMT2A (0.72) CYP1A2SMN1; SMN2PKMKMT2AHTT
SCHEMBL14415899 0.79 THRB (0.77) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5216570 0.78 ALDH1A1 (0.61) NAMPTCYP1A2CYP3A4CYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL9187992 0.78 KMT2A (0.70) CYP1A2SMN1; SMN2PKMKMT2AHTT
SCHEMBL9435155 0.77 TDP1 (0.62) TDP1TSHRKCNK3CYP1A2CYP3A4
SCHEMBL14724809 0.76 NPC1 (0.72) TSHRNAMPTSMN1; SMN2KMT2AHTT

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-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP claimed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed