SCHEMBL19308217

SCHEMBL19308217

O=S(=O)(c1ccc(C2CCCCC2)cc1)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 8/20 0.50
▸ HTT P42858 4/20 0.50
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ SLC18A3 Q16572 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ PTGES2 Q9H7Z7 1/20 0.41

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
SCHEMBL19308218 0.82 LMNA (0.44) LMNAHTTSMN1; SMN2ALDH1A1APOBEC3A
SCHEMBL25258567 0.82 LMNA (0.44) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL19308216 0.79 CHRNB2 (0.49) LMNAHTTSMN1; SMN2ALDH1A1APOBEC3A
SCHEMBL10461059 0.78 SLC18A3 (0.64) LMNAHTTMAPTSLC18A3SIGMAR1
SCHEMBL23052014 0.77 SMN1; SMN2 (0.60) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL18318428 0.76 NAMPT (0.42) LMNATSHRHTR2C
SCHEMBL12017803 0.76 HTR6 (0.46) LMNAALDH1A1KMT2AMEN1TSHR
SCHEMBL2798239 0.76 MAPT (0.50) LMNAALDH1A1MAPTMAPK1TSHR
SCHEMBL5212828 0.76 CYP11B1 (0.49) LMNATSHRHTR2CHTR6
SCHEMBL1865965 0.76 HTR6 (0.44) LMNAALDH1A1TSHRHTR6GAA

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-9752149-B2 Matriptase inhibitors and uses thereof against orthomyxoviridae infections SOCPRA Sciences Sante et Humaines S.E.C. (CA) 2017-09-05 — — US disclosed
Send feedback