SCHEMBL11378388

SCHEMBL11378388

N#CC1CN1C(=O)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.54
▸ TSHR P16473 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ DPP4 P27487 3/20 0.46
▸ DPP8 Q6V1X1 1/20 0.46
▸ DPP9 Q86TI2 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ DAO P14920 1/20 0.43
▸ TP53 P04637 1/20 0.42

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
SCHEMBL11377604 0.81 HDAC1 (0.46) HSD17B10TSHRLMNASMN1; SMN2DPP4
SCHEMBL3891473 0.78 HSD17B10 (0.75) HSD17B10TSHRLMNAALOX15SMN1; SMN2
SCHEMBL11424184 0.78 DPP4 (0.61) TSHRSMN1; SMN2DPP4MAPTNPC1
SCHEMBL11430656 0.70 GAA (0.50) GAANPC1
SCHEMBL11382463 0.70 ALDH1A1 (0.45) TSHRDPP4DPP8DPP9ALDH1A1
SCHEMBL28159525 0.70 GAA (0.57) HSD17B10TSHRLMNAALOX15SMN1; SMN2
SCHEMBL13753536 0.70 TSHR (0.68) HSD17B10TSHRLMNAALOX15SMN1; SMN2
SCHEMBL28846715 0.70 GAA (0.57) HSD17B10TSHRLMNAALOX15SMN1; SMN2
SCHEMBL11380401 0.70 CHRNA7 (0.51) TSHRLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL11375664 0.70 HPGD (0.49) SMN1; SMN2DPP4DPP8DPP9KMT2A

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-4267174-A AND PROCESS FOR ADMINISTERING BOEHRINGER MANNHEIM, GMBH (DE) 1981-05-12 — — US disclosed
Send feedback