SCHEMBL11744939

SCHEMBL11744939

COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ PRKDC P78527 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ VCAM1 P19320 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ MEN1 O00255 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
SCHEMBL11744950 1.00 ALDH1A1 (0.51) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL343409 0.91 HTT (0.47) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL1941394 0.89 HTT (0.46) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL9354657 0.87 PKM (0.49) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL343408 0.87 ALDH1A1 (0.43) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL11610415 0.87 LMNA (0.46) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL8542441 0.83 ALDH1A1 (0.51) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL12305617 0.82 KMT2A (0.47) ALDH1A1KDM4EMAPTPOLBLMNA
SCHEMBL11323532 0.81 ALDH1A1 (0.43) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL7521818 0.81 GAA (0.45) ALDH1A1CYP3A4KDM4EMAPTALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4063889-A Halosolvent dyeing process for polyester with cationic dyes having sulfosuccinate anions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-12-20 — — US claimed
US-4063889-A Halosolvent dyeing process for polyester with cationic dyes having sulfosuccinate anions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-12-20 — — US disclosed
Send feedback