SCHEMBL17778423

SCHEMBL17778423

O=C(Nc1ccccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CCCC1C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TRPV1 Q8NER1 2/20 0.40
▸ PHGDH O43175 2/20 0.40
▸ KIF11 P52732 1/20 0.39
▸ KCNJ6 P48051 1/20 0.38
▸ KCNJ5 P48544 1/20 0.38
▸ KCNJ3 P48549 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CPT2 P23786 1/20 0.37
▸ CPT1A P50416 1/20 0.37
▸ CPT1B Q92523 1/20 0.37
▸ IDH2 P48735 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ SLC6A7 Q99884 1/20 0.37

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
SCHEMBL17769511 1.00 KDM4E (0.42) KDM4ELMNAHSD17B10USP2ALOX15
SCHEMBL17778498 0.95 PHGDH (0.41) KDM4ELMNAHSD17B10USP2ALOX15
SCHEMBL17769364 0.88 KDM4E (0.42) KDM4ELMNAHSD17B10USP2ALOX15
SCHEMBL19365675 0.88 KDM4E (0.42) KDM4ELMNAHSD17B10USP2ALOX15
SCHEMBL17618904 0.88 KDM4E (0.42) KDM4ELMNAHSD17B10USP2ALOX15
SCHEMBL17769468 0.86 ALDH1A1 (0.43) KDM4ELMNAHSD17B10USP2ALOX15
SCHEMBL17769507 0.86 ALDH1A1 (0.43) KDM4ELMNAHSD17B10USP2ALOX15
SCHEMBL17778549 0.86 KDM4E (0.41) KDM4ELMNAHSD17B10USP2ALOX15
SCHEMBL17778333 0.85 KIF11 (0.37) KDM4ELMNAHSD17B10USP2ALOX15
SCHEMBL17778332 0.84 KIF11 (0.37) KDM4ELMNAHSD17B10USP2ALOX15

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
WO-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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