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Sugi Predict / Compounds / SCHEMBL19365740

SCHEMBL19365740

SCHEMBL19365740

C[C@@H]1CCN(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1ccc(CNC(=O)CCCCCNC(=O)c2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 3/20 0.50
▸ ALB P02768 2/20 0.43
▸ BTK Q06187 3/20 0.43
▸ FOLH1 Q04609 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ HTR3A P46098 2/20 0.41
▸ GBA1 P04062 1/20 0.41
▸ HTRA2 O43464 2/20 0.40
▸ HTRA1 Q92743 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ AVPR2 P30518 1/20 0.40
▸ OXTR P30559 1/20 0.40

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
SCHEMBL19365546 0.91 SLC5A2 (0.47) SLC5A2ALBBTKFOLH1ESR1
SCHEMBL19361190 0.91 SLC5A2 (0.50) SLC5A2ALBBTKFOLH1ESR1
SCHEMBL16250025 0.90 SLC5A2 (0.50) SLC5A2ALBBTKFOLH1ESR1
SCHEMBL19669062 0.90 SLC5A2 (0.50) SLC5A2ALBBTKFOLH1ESR1
SCHEMBL21841338 0.87 SLC5A2 (0.47) SLC5A2ALBBTKFOLH1ESR1
SCHEMBL19669056 0.78 CA1 (0.52) HTR3A
SCHEMBL19669980 0.78 CA1 (0.51) HTR3A
SCHEMBL19365748 0.78 CA1 (0.51) HTR3A
SCHEMBL19365750 0.74 CA1 (0.53) BTKHTR3A
SCHEMBL19670250 0.73 CA2 (0.37) —

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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