SCHEMBL14237474

SCHEMBL14237474

CCn1nccc1C(=O)Nc1ccc(I)c(N)n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ HTT P42858 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ SCN10A Q9Y5Y9 7/20 0.48
▸ SCN1A P35498 1/20 0.44
▸ SCN5A Q14524 1/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ ABL1 P00519 1/20 0.43
▸ CYP2D6 P10635 1/20 0.41
▸ LMNA P02545 1/20 0.40

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
SCHEMBL262561 0.84 SCN10A (0.63) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL263720 0.81 SCN10A (0.46) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL265170 0.80 SCN10A (0.77) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL14237298 0.78 SCN10A (0.78) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL14237601 0.77 SCN10A (0.78) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL14237607 0.77 SCN10A (0.57) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL264146 0.77 SCN10A (0.68) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL14237482 0.76 SCN10A (0.59) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL263773 0.75 SCN10A (0.79) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL14237438 0.74 SCN10A (0.59) MEN1KMT2AALDH1A1HTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183241-B1 2-PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LTD (GB) 2012-12-19 — — EP disclosed
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