SCHEMBL19308207

SCHEMBL19308207

NCCC1CCC(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.44
▸ HTT P42858 4/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PTGES2 Q9H7Z7 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ XBP1 P17861 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RORC P51449 1/20 0.37

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
SCHEMBL19308206 0.80 F2 (0.38) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL12929547 0.76 LMNA (0.50) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL19308217 0.75 LMNA (0.50) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL19308198 0.72 TSHR (0.47) LMNAALDH1A1TSHR
SCHEMBL11775347 0.72 LMNA (0.50) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL19308211 0.70 LMNA (0.49) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL14341830 0.70 LMNA (0.59) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL25258567 0.70 LMNA (0.44) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL11774952 0.70 LMNA (0.47) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL10182181 0.69 LMNA (0.68) LMNAHTTSMN1; SMN2ALDH1A1MAPT

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
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