SCHEMBL9230302

SCHEMBL9230302

CCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(C)C

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 4/20 0.56
HTT P42858 2/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
SIRT5 Q9NXA8 1/20 0.54
NOD2 Q9HC29 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
GAA P10253 3/20 0.53

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
SCHEMBL8854725 0.83 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KDM4EHTTMAPT
SCHEMBL9035476 0.81 LMNA (0.61) ALDH1A1SMN1; SMN2POLBMAPTKMT2A
SCHEMBL9229960 0.73 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2AGAA
SCHEMBL17073180 0.73 ATM (0.70) ALDH1A1SMN1; SMN2KDM4EHTTPOLB
SCHEMBL9225412 0.71 KDM4E (0.55) ALDH1A1SMN1; SMN2KDM4EPOLBMAPT
SCHEMBL7575179 0.70 HTT (0.54) ALDH1A1SMN1; SMN2KDM4EHTTPOLB
SCHEMBL15647612 0.69 KDM4E (0.61) ALDH1A1SMN1; SMN2KDM4EHTTPOLB
SCHEMBL9225403 0.69 KMT2A (0.72) ALDH1A1SMN1; SMN2KDM4EHTTPOLB
SCHEMBL6934770 0.68 CETP (0.61) ALDH1A1KDM4EHTTPOLBGAA
SCHEMBL8644045 0.68 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2HTTMAPTKMT2A

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
EP-0685470-A2 Benzene derivatives and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1995-12-06 EP disclosed