SCHEMBL18059172

SCHEMBL18059172

N=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1cc(N2CCCCC2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
PHGDH O43175 9/20 0.39
LMNA P02545 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IP6K1 Q92551 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2C P28335 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38

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
SCHEMBL44733 0.89 TRPA1 (0.43) TRPA1PHGDHLMNAKMT2AMEN1
SCHEMBL18059216 0.89 TRPA1 (0.40) TRPA1PHGDHLMNAKMT2AMEN1
SCHEMBL45214 0.77 SERPINE1 (0.47) LMNAKMT2AMEN1HTTMAPT
SCHEMBL45518 0.76 MEN1 (0.44) PHGDHLMNAKMT2AMEN1POLB
SCHEMBL16691235 0.75 ESRRA (0.42) LMNAKMT2AMEN1POLBHTT
SCHEMBL46581 0.75 F10 (0.43) TRPA1LMNAKMT2AMEN1HTT
SCHEMBL44799 0.73 PHGDH (0.46) TRPA1PHGDHLMNAKMT2AMEN1
SCHEMBL47058 0.72 F10 (0.42) TRPA1LMNAKMT2AMEN1HTT
SCHEMBL47072 0.72 MEN1 (0.41) TRPA1KMT2AMEN1MAPTALDH1A1
SCHEMBL10226260 0.72 F10 (0.41) TRPA1LMNAKMT2AMEN1HTT

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-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed