SCHEMBL18153327

SCHEMBL18153327

COc1ccccc1C1COCc2nc3ccc(Br)nc3n21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 4/20 0.39
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
TERT O14746 3/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
ADRA1A P35348 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL18150892 1.00 TNF (0.39) TNFMEN1KMT2AHPGDALDH1A1
SCHEMBL18163106 0.83 TNF (0.53) TNFMEN1KMT2AHPGDTERT
SCHEMBL18150918 0.83 RIPK1 (0.34) MAOAMAOB
SCHEMBL18151601 0.82 DRD2 (0.34) TNFMEN1KMT2AHPGDALDH1A1
SCHEMBL18153418 0.82 DRD2 (0.34) TNFMEN1KMT2AHPGDALDH1A1
SCHEMBL18150765 0.81 TNF (0.47) TNFMEN1KMT2AALDH1A1KDM4E
SCHEMBL18150326 0.80 P2RX7 (0.36)
SCHEMBL18159812 0.80 P2RX7 (0.36)
SCHEMBL29794983 0.75 TNF (0.61) TNFKDM4E
SCHEMBL18150470 0.75 TNF (0.61) TNFKDM4E

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-3288939-A1 TRICYCLIC MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-07 EP disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed