SCHEMBL8485836

SCHEMBL8485836

O=S(=O)(NCCCCOc1ccc(-n2cnnn2)cc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ GAA P10253 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 4/20 0.51
▸ LMNA P02545 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CYP19A1 P11511 3/20 0.48
▸ MAPT P10636 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ TSHR P16473 1/20 0.45

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
SCHEMBL8795501 0.89 KDM4E (0.53) ALDH1A1GAAKDM4EMAPK1KMT2A
SCHEMBL8483139 0.89 KDM4E (0.56) ALDH1A1GAAKDM4EMAPK1KMT2A
SCHEMBL1876555 0.79 ALDH1A1 (0.71) ALDH1A1KDM4EMAPK1KMT2ALMNA
SCHEMBL8488739 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1KMT2ALMNA
SCHEMBL8483983 0.78 CYP2D6 (0.55) ALDH1A1KDM4EKMT2ALMNAPKM
SCHEMBL8484029 0.77 CYP2D6 (0.54) ALDH1A1KDM4EKMT2ALMNAPKM
SCHEMBL1880968 0.75 ALDH1A1 (0.72) ALDH1A1KDM4EMAPK1KMT2ALMNA
SCHEMBL8795385 0.73 POLB (0.61) ALDH1A1KMT2APKMCYP19A1MAPT
Hydrochloric Acid SCHEMBL8487010 0.72 POLB (0.59) ALDH1A1KMT2APKMCYP19A1MAPT
SCHEMBL8482951 0.71 RAB9A (0.56) ALDH1A1KMT2APKMSMN1; SMN2MAPT

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-5877196-A N- 4-(imidazolyl or pyrazolyl)phenyl(oxy, sulfinyl, sulfenyl or sulfonyl)alkyl!carboxamides, sulfonamides or phosphoramides having antiarrhythmic properties AMERICAN CYANAMID COMPANY (US) 1999-03-02 — — US disclosed
Send feedback