SCHEMBL6272979

SCHEMBL6272979

COC(=O)c1cc(S(=O)(=O)c2ccc(CCNC(Cc3ccccc3)[C@H](O)c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)cc2)ccc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CTSV O60911 4/20 0.40
CTSL P07711 4/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PTPN2 P17706 2/20 0.39
PTPN1 P18031 2/20 0.39
PTPN6 P29350 2/20 0.39
PTPRF P10586 1/20 0.37
PTPN11 Q06124 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL6267988 0.93 CTSV (0.45) POLBALDH1A1MEN1KMT2ACTSV
SCHEMBL6272458 0.85 NLRP3 (0.40) MEN1KMT2APTPN2PTPN1PTPN6
SCHEMBL6272982 0.82 POLB (0.40) POLBALDH1A1MEN1KMT2ACTSV
SCHEMBL6272984 0.82 POLB (0.40) POLBALDH1A1MEN1KMT2ACTSV
SCHEMBL6274192 0.80 MEN1 (0.37) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6270665 0.80 LRRK2 (0.39) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL6272839 0.79 KMT2A (0.42) KMT2A
SCHEMBL6269313 0.79 KMT2A (0.44) POLBALDH1A1MEN1KMT2ARAB9A
SCHEMBL6273802 0.79 SIRT2 (0.41) POLBMEN1KMT2ARAB9ALMNA
SCHEMBL6271193 0.79 KMT2A (0.41) POLBMEN1KMT2ARAB9ALMNA

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
WO-2005110981-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-11-24 WO disclosed