SCHEMBL7067524

SCHEMBL7067524

OCCN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 3/20 0.36
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
SCN1A P35498 1/20 0.34
HIF1A Q16665 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL9187620 0.87 TDP1 (0.39) HTTALDH1A1MAPTTSHRCYP3A4
SCHEMBL8780860 0.82 TDP1 (0.43) KDM4EALDH1A1TSHRCYP3A4TDP1
SCHEMBL348351 0.82 KDM4E (0.39) HTTKDM4EMEN1KMT2AALDH1A1
SCHEMBL5000276 0.79 HTR1A (0.39) MEN1KMT2AOPRM1
SCHEMBL5003993 0.76 MEN1 (0.46) HTTMEN1KMT2AMAPTTDP1
SCHEMBL8100023 0.76 LTA4H (0.36) TSHRLMNASMN1; SMN2CYP2C19
SCHEMBL5000404 0.75 KMT2A (0.47) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL8652282 0.74 KCNH2 (0.41) HTTKDM4EALDH1A1MAPTTSHR
SCHEMBL5003760 0.74 KCNH2 (0.41) HTTKDM4EALDH1A1MAPTTSHR
SCHEMBL8097672 0.73 LTA4H (0.35) TSHRSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944638-B1 CIS-BRIDGED METAL COMPLEXES BASF AG (DE) 2003-06-11 EP disclosed
EP-0944638-A1 CIS-BRIDGED METAL COMPLEXES BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed
WO-1998025939-A1 CIS-BRIDGED METAL COMPLEXES BASF AKTIENGESELLSCHAFT (DE) 1998-06-18 WO disclosed