SCHEMBL5679441

SCHEMBL5679441

Nc1nc2cc(-c3ccc(F)cc3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NUDT1 P36639 1/20 0.47
KMT2A Q03164 1/20 0.47
AOC3 Q16853 1/20 0.47
FABP6 P51161 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
PLAU P00749 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
BACE1 P56817 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42

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
SCHEMBL214295 0.85 ALDH1A1 (0.53) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL5679180 0.85 TAAR1 (0.50) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL3827667 0.84 ALDH1A1 (0.58) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL16848371 0.83 JAK2 (0.50) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL5679606 0.83 ALDH1A1 (0.47) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL5679783 0.83 BACE1 (0.59) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL5679426 0.83 FABP6 (0.53) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL3716080 0.82 MAP4K4 (0.49) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL14655239 0.81 HTR3E (0.49) MASP2MEN1ALDH1A1NUDT1KMT2A
Bromide SCHEMBL118833 0.81 MAP4K4 (0.48) MASP2MEN1ALDH1A1NUDT1KMT2A

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-1620413-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-02-01 EP disclosed
WO-2004098494-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-11-18 WO disclosed