SCHEMBL6983641

SCHEMBL6983641

OC[C@@H](SCc1cnc2ccccc2c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
MGAM O43451 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
RAB9A P51151 2/20 0.39
CFTR P13569 1/20 0.39
ACP1 P24666 1/20 0.38
FAAH O00519 3/20 0.37
CYP1A2 P05177 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 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
SCHEMBL6399537 1.00 MEN1 (0.46) MEN1KMT2APDGFRBPDGFRAMGAM
SCHEMBL6982024 0.87 FAAH (0.44) MEN1KMT2APDGFRBPDGFRAALDH1A1
SCHEMBL6403012 0.87 FAAH (0.44) MEN1KMT2APDGFRBPDGFRAALDH1A1
SCHEMBL6400707 0.81 DYRK3 (0.31) MEN1KMT2AMAPT
SCHEMBL6405033 0.80 MASP2 (0.36) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL6400559 0.76 MEN1 (0.41) MEN1KMT2APDGFRBPDGFRAMGAM
SCHEMBL10673413 0.74 CYP1A2 (0.50) PDGFRBPDGFRAMGAMALDH1A1KDM1A
SCHEMBL28361265 0.74 MEN1 (0.51) MEN1KMT2APDGFRBPDGFRAMGAM
SCHEMBL4664285 0.73 KDM1A (0.47) MEN1KMT2APDGFRBPDGFRAMGAM
SCHEMBL701411 0.72 ALDH1A1 (0.53) KMT2APDGFRBPDGFRAMGAMALDH1A1

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
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO disclosed