SCHEMBL5598274

SCHEMBL5598274

CC(C)(C)c1ccc(-c2nc3[c]cccc3s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.60
NOD1 Q9Y239 1/20 0.60
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
RXFP1 Q9HBX9 1/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
APP P05067 3/20 0.36

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
SCHEMBL5591719 0.85 TNF (0.42) TNFNOD1RAB9ANPC1KDM4E
SCHEMBL5540904 0.81 KDM4E (0.42) TNFNOD1RAB9ANPC1KDM4E
SCHEMBL10495624 0.80 APP (0.57) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL5547745 0.78 KDM4E (0.56) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL20597734 0.76 CASR (0.40) TNFNOD1ALDH1A1L3MBTL1LMNA
SCHEMBL13118015 0.75 TNF (1.00) TNFNOD1RAB9ANPC1KDM4E
SCHEMBL5591820 0.73 ALDH1A1 (0.47) RAB9ANPC1KDM4EHDAC6MAPT
SCHEMBL5591755 0.72 PIK3CD (0.42) RAB9ANPC1MEN1KMT2A
SCHEMBL15746019 0.72 TNF (0.61) TNFNOD1RAB9ANPC1KDM4E
SCHEMBL25027881 0.71 TNF (0.71) TNFNOD1RAB9ANPC1KDM4E

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-2007076104-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2007-07-05 WO disclosed