Sugi Predict

Sugi Predict / Compounds / SCHEMBL2787064

SCHEMBL2787064

SCHEMBL2787064

CCCCCCSNC(=O)Nc1noc2c(F)cccc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ SSTR4 P31391 6/20 0.35
▸ EPHX2 P34913 2/20 0.33
▸ PLK1 P53350 2/20 0.33
▸ PLK3 Q9H4B4 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ MLYCD O95822 1/20 0.32

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
SCHEMBL2787968 1.00 TP53 (0.40) TP53SMN1; SMN2SSTR4EPHX2PLK1
SCHEMBL2784882 1.00 TP53 (0.40) TP53SMN1; SMN2SSTR4EPHX2PLK1
SCHEMBL2784747 0.99 TP53 (0.41) TP53SMN1; SMN2SSTR4PLK1PLK3
SCHEMBL2786513 0.91 SMN1; SMN2 (0.43) TP53SMN1; SMN2SSTR4
SCHEMBL2788916 0.81 SMN1; SMN2 (0.47) TP53SMN1; SMN2SSTR4
SCHEMBL2786181 0.81 SMN1; SMN2 (0.43) TP53SMN1; SMN2SSTR4
SCHEMBL2785433 0.76 SMN1; SMN2 (0.42) TP53SMN1; SMN2SSTR4KIT
SCHEMBL2769700 0.76 SMN1; SMN2 (0.49) TP53SMN1; SMN2EPHX2
SCHEMBL2770294 0.74 SMN1; SMN2 (0.50) TP53SMN1; SMN2
SCHEMBL2770776 0.73 SMN1; SMN2 (0.46) TP53SMN1; SMN2SSTR4

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
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 — — EP claimed