SCHEMBL10448993

SCHEMBL10448993

CCC(O)CNc1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 2/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
MAOA P21397 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADORA2A P29274 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 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
SCHEMBL8120703 0.88 MAPT (0.54) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4726732 0.85 MAPT (0.45) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9836946 0.83 KMT2A (0.46) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9388712 0.83 MAPT (0.41) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4011205 0.82 MEN1 (0.40) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1233747 0.81 MEN1 (0.41) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12547956 0.81 MAPT (0.46) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27365630 0.81 ALDH1A1 (0.41) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15923304 0.79 MAPT (0.40) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1949343 0.79 MEN1 (0.42) MAPTALDH1A1MEN1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1914203-A Sulfone substituted imidazo ring ethers 3M INNOVATIVE PROPERTIES CO (US) 2007-02-14 CN disclosed
EP-0389302-A1 Olefinic 1H-imidazo [4,5-c]quinolin-4-amines RIKER LABORATORIES, INC. (US) 1990-09-26 EP disclosed