SCHEMBL19670120

SCHEMBL19670120

COc1cc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 2/20 0.43
▸ SORT1 Q99523 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGDS O60760 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
SCHEMBL17624646 0.90 CA2 (0.42) SCN10ACA2CA9MEN1KMT2A
SCHEMBL17618393 0.90 KMT2A (0.46) SCN10ASORT1CA2CA9MEN1
SCHEMBL19670454 0.89 CA2 (0.39) SCN10ACA2CA9MEN1KMT2A
SCHEMBL17618783 0.88 MEN1 (0.47) MEN1KMT2ALMNAKDM4EUSP2
SCHEMBL17618367 0.88 FAAH (0.41) ABL1BCR
SCHEMBL19706218 0.88 FAAH (0.41) ABL1BCR
SCHEMBL17777128 0.88 RAF1 (0.39) SCN10ACA2CA9MEN1KMT2A
SCHEMBL16754556 0.88 RAF1 (0.39) SCN10ACA2CA9MEN1KMT2A
SCHEMBL16754554 0.88 RAF1 (0.39) SCN10ACA2CA9MEN1KMT2A
SCHEMBL16754555 0.88 RAF1 (0.39) SCN10ACA2CA9MEN1KMT2A

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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