SCHEMBL9847559

SCHEMBL9847559

COCCOc1cccnc1-c1ncccc1OCCOC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
LMNA P02545 4/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 3/20 0.41
SYK P43405 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
KDM1A O60341 2/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
KDM4E B2RXH2 4/20 0.38

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
SCHEMBL8501158 0.82 KDM4E (0.42) CYP11B1CYP11B2LMNARAB9ASMN1; SMN2
SCHEMBL31362449 0.81 S1PR4 (0.58) LMNARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL3665962 0.81 RAB9A (0.55) LMNARAB9ASMN1; SMN2MEN1NPC1
Ammonia Solution, Strong SCHEMBL28511290 0.81 CHRNB2 (0.47) LMNARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL2974587 0.78 MAPT (0.56) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL21730396 0.78 KDM1A (0.40) LMNARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL1101341 0.78 MAPT (0.69) LMNARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL12754892 0.77 TSHR (0.45) LMNARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL5999885 0.77 PDE5A (0.51) CYP11B1CYP11B2LMNAMEN1KMT2A
SCHEMBL23774789 0.77 LMNA (0.38) LMNARAB9ASMN1; SMN2MEN1NPC1

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
EP-0411935-A2 Copper radio sensitizers JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1991-02-06 EP disclosed