SCHEMBL27799338

SCHEMBL27799338

O=C(O)c1cnn(-c2cccc(-c3cc(Cl)ccc3O)n2)c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.57
NFE2L2 Q16236 3/20 0.57
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CRHBP P24387 1/20 0.47
MC4R P32245 1/20 0.47
CRHR2 Q13324 1/20 0.47
GUCY1A1 Q02108 11/20 0.47
GUCY1B1 Q02153 11/20 0.47

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
SCHEMBL4001274 0.89 KEAP1 (0.58) KEAP1NFE2L2MEN1KMT2ARAB9A
SCHEMBL10182607 0.86 KEAP1 (0.59) KEAP1NFE2L2MEN1KMT2ARAB9A
SCHEMBL1780792 0.86 GUCY1A1 (0.64) KEAP1NFE2L2MEN1KMT2APOLB
SCHEMBL4390119 0.85 KEAP1 (0.54) KEAP1NFE2L2MEN1KMT2ARAB9A
SCHEMBL3998254 0.83 KEAP1 (0.67) KEAP1NFE2L2MEN1KMT2ARAB9A
SCHEMBL3997434 0.82 KEAP1 (0.57) KEAP1NFE2L2MEN1KMT2ARAB9A
SCHEMBL22588240 0.82 KEAP1 (0.49) KEAP1NFE2L2MEN1KMT2ARAB9A
SCHEMBL3997788 0.80 KEAP1 (0.65) KEAP1NFE2L2MEN1KMT2ARAB9A
SCHEMBL2364934 0.79 MEN1 (0.70) KEAP1NFE2L2MEN1KMT2ARAB9A
SCHEMBL27799412 0.79 KEAP1 (0.59) KEAP1NFE2L2MEN1KMT2ARAB9A

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
CN-101939053-A Soluble guanylate cyclase activators MERCK SHARP & DOHME 2011-01-05 CN disclosed