SCHEMBL28802123

SCHEMBL28802123

c1ccc([P](Cc2ccc3cccnc3n2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SUCNR1 Q9BXA5 7/20 0.40
ALDH1A1 P00352 2/20 0.40
PDE10A Q9Y233 2/20 0.39
MIF P14174 1/20 0.35
OXGR1 Q96P68 1/20 0.35
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MMP2 P08253 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 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
Hydrochloric Acid SCHEMBL27899754 0.76 ALDH1A1 (0.40) KDM4EMEN1KMT2AALDH1A1PDE10A
SCHEMBL27334270 0.76 CYSLTR1 (0.50) MEN1KMT2AALDH1A1PDE10ATP53
SCHEMBL4823229 0.73 ALDH1A1 (0.48) KDM4ELMNAMEN1KMT2ASUCNR1
SCHEMBL27489217 0.73 ALDH1A1 (0.67) KMT2AALDH1A1CYP3A4MAPTSMN1; SMN2
SCHEMBL3275331 0.72 KDM4E (0.50) KDM4ELMNAMEN1KMT2ASUCNR1
SCHEMBL2009161 0.72 CCR1 (0.48) KDM4ELMNAMEN1KMT2ASUCNR1
SCHEMBL19952703 0.72 ALDH1A1 (0.47) KDM4ELMNAMEN1KMT2ASUCNR1
SCHEMBL7514147 0.72 ALDH1A1 (0.47) KDM4ELMNAMEN1KMT2ASUCNR1
Hydrochloric Acid SCHEMBL7450279 0.71 KDM4E (0.42) KDM4ELMNAMEN1KMT2ASUCNR1
SCHEMBL514723 0.71 SUCNR1 (0.43) KDM4ELMNAMEN1KMT2ASUCNR1

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
CN-103038229-B Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-05-11 CN disclosed
CN-103038229-A Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC 2013-04-10 CN disclosed