SCHEMBL9730941

SCHEMBL9730941

C=C(NC=O)c1ccnc2cc(O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
GAA P10253 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
MCL1 Q07820 1/20 0.40
TLR8 Q9NR97 1/20 0.38
ATM Q13315 1/20 0.35
RET P07949 3/20 0.35
RIPK2 O43353 3/20 0.35
MAPK14 Q16539 2/20 0.35
KDR P35968 2/20 0.35
PKMYT1 Q99640 2/20 0.35
ALDH1A1 P00352 5/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
LCK P06239 1/20 0.34
KDM4E B2RXH2 4/20 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
SCHEMBL9731303 0.90 PARP1 (0.39) MAPTMEN1KMT2AGAATDP1
SCHEMBL9731401 0.82 ERN1 (0.39) MAPTMEN1KMT2AALDH1A1CASP1
SCHEMBL9732624 0.81 PTPN1 (0.46) MAPTMEN1KMT2AGAAATM
SCHEMBL9730974 0.74 IGFBP3 (0.34) MEN1KMT2ALMNAPOLB
SCHEMBL9731139 0.74 NSD2 (0.48) MAPTMEN1KMT2AALDH1A1CASP1
SCHEMBL8764571 0.73 CCR1 (0.53) MAPTMEN1KMT2AGAATDP1
SCHEMBL2748318 0.73 LMNA (0.50) MEN1KMT2ATLR8ALDH1A1CASP1
SCHEMBL29996665 0.73 LMNA (0.50) MEN1KMT2ATLR8ALDH1A1CASP1
SCHEMBL19643450 0.72 CA12 (0.51) MAPTMEN1KMT2AGAATLR8
SCHEMBL9730944 0.71 MAPT (0.55) MAPTMEN1KMT2AGAATDP1

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
US-5122537-A Tyrosine kinase inhibitors FARMITALIA CARLO ERBA S.R.L. (IT) 1992-06-16 US disclosed