SCHEMBL45807

SCHEMBL45807

O=C(c1ccncc1)N(Cc1ccccc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
MLYCD O95822 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
PLOD2 O00469 1/20 0.45
PLOD3 O60568 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
PLOD1 Q02809 1/20 0.45
HIF1A Q16665 1/20 0.45
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL250885 0.79 CES1 (0.53) KMT2ALMNACYP2C19ALDH1A1MEN1
SCHEMBL3065041 0.77 TSHR (0.56) KMT2ATSHRGPBAR1MLYCDMEN1
SCHEMBL3053508 0.76 TSHR (0.48) KMT2AKDM4ETSHRGPBAR1MLYCD
SCHEMBL24193442 0.76 MEN1 (0.47) KMT2ALMNAMLYCDCYP2C19ALDH1A1
SCHEMBL14855018 0.76 KMT2A (0.49) KMT2AKDM4ELMNATSHRCYP1A2
SCHEMBL3060251 0.76 TSHR (0.71) KMT2AKDM4ETSHRALDH1A1MEN1
SCHEMBL14855017 0.75 KMT2A (0.47) KMT2AKDM4ELMNATSHRCYP1A2
SCHEMBL3054586 0.75 RCE1 (0.60) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6648152 0.75 MEN1 (0.50) KMT2ALMNACYP2C19ALDH1A1MEN1
SCHEMBL10338250 0.75 MEN1 (0.46) KMT2AKDM4ELMNACYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed