SCHEMBL10694514

SCHEMBL10694514

Nc1ccc(C(=O)NCCOS(=O)(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.50
HIF1A Q16665 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
TSHR P16473 1/20 0.50
ACHE P22303 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
CA2 P00918 5/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48

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
SCHEMBL28879276 0.88 LMNA (0.46) LMNAALDH1A1KDM4EMAPTHIF1A
SCHEMBL24904351 0.85 HPGD (0.56) LMNAALDH1A1KDM4EMAPTTSHR
SCHEMBL27961888 0.84 CYP1A2 (0.57) LMNAALDH1A1KDM4EMAPTTSHR
SCHEMBL23417255 0.84 NPC1 (0.63) LMNAALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL10693649 0.80 CA2 (0.42) LMNAALDH1A1KDM4EMAPTTSHR
SCHEMBL10692839 0.80 LMNA (0.62) LMNAALDH1A1KDM4EMAPTMAPK1
SCHEMBL853302 0.80 HPGD (0.66) LMNAALDH1A1KDM4EMAPTHIF1A
SCHEMBL11230329 0.79 KDM4E (0.63) LMNAALDH1A1KDM4EMAPTHIF1A
SCHEMBL9344489 0.79 KDM4E (0.68) LMNAALDH1A1KDM4EMAPTHIF1A
SCHEMBL12040903 0.79 KDM4E (0.54) LMNAALDH1A1KDM4EMAPTHIF1A

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-4754024-A Fibre-reactive azo dyes containing vinylsulfonyl or analogous groups CIBA-GEIGY CORPORATION 1988-06-28 US disclosed