SCHEMBL17981864

SCHEMBL17981864

CC(C)(C)[S@+]([O-])NCCc1ccncc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LATS1 O95835 1/20 0.33
▸ SSTR4 P31391 3/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ AOC1 P19801 1/20 0.30
▸ AOC3 Q16853 1/20 0.30

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
SCHEMBL17981868 1.00 LATS1 (0.33) LATS1SSTR4SLC22A12AOC1AOC3
SCHEMBL22493240 0.79 LATS1 (0.39) LATS1SSTR4SLC22A12AOC1AOC3
SCHEMBL23536732 0.74 P2RX7 (0.35) —
SCHEMBL22383611 0.73 HTT (0.46) —
SCHEMBL21503642 0.73 CYP2E1 (0.44) LATS1SLC22A12AOC1AOC3
SCHEMBL17981893 0.70 LOXL2 (0.48) AOC1AOC3
SCHEMBL19837733 0.69 LATS1 (0.34) LATS1SLC22A12
SCHEMBL18019732 0.69 LATS1 (0.34) LATS1SLC22A12
SCHEMBL2860576 0.69 DAO (0.41) —
SCHEMBL19837732 0.69 LATS1 (0.34) LATS1SLC22A12

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-2016130396-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-08-18 — — WO disclosed
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