SCHEMBL11540422

SCHEMBL11540422

O=C(O)CCCNC1=NS(=O)(=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
RXFP1 Q9HBX9 1/20 0.50
VCP P55072 1/20 0.50
EPAS1 Q99814 2/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CDC25A P30304 1/20 0.46
CDC25B P30305 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.43
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL3853334 0.80 MAPT (0.51) ALDH1A1RXFP1VCPEPAS1MAPT
SCHEMBL29853839 0.78 KCNA3 (0.52) ALDH1A1RXFP1MAPTLMNASMN1; SMN2
SCHEMBL13220550 0.75 NLRP3 (0.48) ALDH1A1RXFP1VCPEPAS1MAPT
SCHEMBL13220736 0.75 KCNA3 (0.48) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30896587 0.75 ALDH1A1 (0.50) ALDH1A1RXFP1EPAS1MAPTLMNA
SCHEMBL30808046 0.74 LMNA (0.50) ALDH1A1RXFP1EPAS1MAPTLMNA
SCHEMBL28354196 0.74 LMNA (0.50) ALDH1A1RXFP1EPAS1MAPTLMNA
SCHEMBL13220624 0.74 MAPT (0.61) ALDH1A1RXFP1MAPTLMNAPOLB
SCHEMBL13220791 0.74 MAPT (0.51) ALDH1A1RXFP1VCPMAPTLMNA
SCHEMBL13220735 0.74 PPARG (0.46) ALDH1A1VCPMAPTNPC1RAB9A

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-4148798-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1979-04-10 US disclosed