SCHEMBL28801255

SCHEMBL28801255

C=CCc1c(NCC)cccc1NCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
USP2 O75604 1/20 0.38
CASP1 P29466 1/20 0.38
BRCA1 P38398 1/20 0.38
CASP7 P55210 1/20 0.38
IDO1 P14902 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRM5 P41594 1/20 0.33
MTNR1A P48039 1/20 0.33
GAA P10253 3/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 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
SCHEMBL27875950 0.78 TSHR (0.34) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL27875944 0.78 GAA (0.41) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL27859146 0.72 IDO1 (0.42) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL25964065 0.72 MTNR1A (0.36) MEN1KMT2AUSP2GABRA1GABRB2
SCHEMBL11071612 0.71 MEN1 (0.39) MEN1KMT2AGABRA1GABRB2MAPT
SCHEMBL526384 0.70 IDO1 (0.52) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL10540382 0.69 KCNH2 (0.43) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL7776231 0.69 ALDH1A1 (0.40) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL19122441 0.69 MAPT (0.43) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL12802066 0.69 GABRA1 (0.42) MEN1KMT2AGABRA1GABRB2MTNR1A

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
CN-102731722-A Process for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, and polymer composition SUMITOMO CHEMICAL CO 2012-10-17 CN disclosed