SCHEMBL9348335

SCHEMBL9348335

Nc1cccc(C2(c3cccc(N)c3N)c3ccccc3-c3ccccc32)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
OPRK1 P41145 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDK2 Q15119 4/20 0.42
HSD17B10 Q99714 3/20 0.39
CD44 P16070 1/20 0.39
CYP3A4 P08684 4/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
PTPRC P08575 1/20 0.38
ADORA2A P29274 1/20 0.38
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL109214 0.86 KMT2A (0.56) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL29580288 0.86 KMT2A (0.56) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL15505765 0.83 PDK2 (0.56) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL29431837 0.83 PDK2 (0.56) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL15618159 0.82 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL30484151 0.82 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL29901176 0.82 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL5667265 0.81 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL15848159 0.81 KDM4E (0.47) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL20590529 0.81 CYP3A4 (0.50) SMN1; SMN2KDM4EMEN1LMNAMAPT

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-0611366-A1 CHLORINATION PROCESS, ALKYLATION OF PRODUCTS OF SAID PROCESS AND SOME PRODUCTS THEREOF THE DOW CHEMICAL COMPANY (US) 1994-08-24 EP disclosed
WO-1993009074-A2 CHLORINATION PROCESS, ALKYLATION OF PRODUCTS OF SAID PROCESS AND SOME PRODUCTS THEREOF THE DOW CHEMICAL COMPANY (US) 1993-05-13 WO disclosed