SCHEMBL19670390

SCHEMBL19670390

Cc1nc(NC(=O)N2c3nc(-c4cccc(CN)c4)ccc3N(C)CC[C@H]2C)sc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NTSR1 P30989 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ CFD P00746 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
SCHEMBL19670243 0.86 KDM1A (0.38) ALDH1A1SMN1; SMN2MAPTKDM4EMEN1
SCHEMBL19670242 0.78 SLC27A1 (0.35) ALDH1A1SMN1; SMN2MAPTHTTNPSR1
SCHEMBL19670238 0.76 TRPA1 (0.38) SMN1; SMN2MAPTNPSR1KDM4EHPGD
SCHEMBL19669970 0.76 PIK3CA (0.36) MTORALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL16776285 0.74 NPC1 (0.36) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL17618763 0.73 RAB9A (0.41) ALDH1A1SMN1; SMN2MAPTKDM4ERAB9A
SCHEMBL17618422 0.72 RAB9A (0.40) ALDH1A1SMN1; SMN2MAPTKDM4ERAB9A
SCHEMBL17655381 0.72 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2KDM4EHPGDKMT2A
SCHEMBL16775975 0.71 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL16775986 0.71 SLC27A1 (0.36) SMN1; SMN2RAB9AABL1JAK2NPC1

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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