SCHEMBL6272989

SCHEMBL6272989

NC(=O)c1cc(S(=O)(=O)c2ccc(CCNC(Cc3ccccc3)[C@H](O)c3ccc(Cl)nc3)cc2)ccc1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
NLRP3 Q96P20 1/20 0.37
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
NAMPT P43490 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.35
LRRK2 Q5S007 1/20 0.35
PDE4B Q07343 2/20 0.34
NPC1 O15118 1/20 0.34
HAT1 O14929 2/20 0.34
EP300 Q09472 2/20 0.34
ACP1 P24666 1/20 0.34
PTPN12 Q05209 1/20 0.34
PTPN13 Q12923 1/20 0.34

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
SCHEMBL6272458 0.92 NLRP3 (0.40) GAAKMT2AMEN1LMNAMAPK1
SCHEMBL6272705 0.91 LRRK2 (0.39) GAAKMT2AMEN1RAB9ANLRP3
SCHEMBL6271193 0.91 KMT2A (0.41) GAAKMT2AMEN1LMNARAB9A
SCHEMBL6269313 0.91 KMT2A (0.44) KMT2AMEN1LMNARAB9AMAPK1
SCHEMBL6269042 0.90 AKR1C3 (0.39) GAAKMT2ARAB9ANLRP3POLB
SCHEMBL6273572 0.90 AKR1C3 (0.39) GAAKMT2ARAB9ANLRP3POLB
SCHEMBL6276815 0.88 GAA (0.36) GAAKMT2AMEN1RAB9ANLRP3
SCHEMBL6272911 0.88 KMT2A (0.42) KMT2AMEN1LMNARAB9AMAPK1
SCHEMBL6273802 0.85 SIRT2 (0.41) KMT2AMEN1LMNARAB9AMAPK1
SCHEMBL6270665 0.85 LRRK2 (0.39) GAAKMT2AMEN1LMNAPOLB

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