SCHEMBL8804657

SCHEMBL8804657

O=c1ncn2c3c(cccc13)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
PARP1 P09874 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
KDM4E B2RXH2 5/20 0.33
CYP1A2 P05177 1/20 0.33
IP6K1 Q92551 1/20 0.33
IP6K3 Q96PC2 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 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
SCHEMBL401463 0.75 DRD2 (0.50) LMNAMEN1KMT2ATDP1PARP1
SCHEMBL11001148 0.72 LMNA (0.41) LMNAMEN1KMT2ATDP1ALDH1A1
SCHEMBL26370481 0.69 HPGD (0.46) LMNAMEN1KMT2ATDP1ALDH1A1
SCHEMBL5434419 0.66 MCL1 (0.41) LMNAKMT2APARP1HTR2AHTR2C
SCHEMBL405139 0.66 DRD2 (0.48) ALDH1A1HSD17B10PARP1USP2HPGD
SCHEMBL6837082 0.65 MEN1 (0.41) MEN1KMT2APARP1HTR2AHTR2C
SCHEMBL406231 0.64 DRD2 (0.47) ALDH1A1HSD17B10PARP1USP2HPGD
SCHEMBL27989542 0.64 MTNR1A (0.40) LMNAMEN1KMT2ATDP1PARP1
SCHEMBL25030544 0.63 MEN1 (0.42) LMNAMEN1KMT2ATDP1ALDH1A1
SCHEMBL854184 0.63 PARP1 (0.61) LMNAMEN1KMT2AHSD17B10PARP1

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
JP-9143182-A None JP disclosed
JP-H09143182-A NEW 5-6-DIHYDROPYRROLO(3,2,1-IJ)QUINAZOLINE-1-ONE DERIVATIVE KISSEI PHARMACEUT CO LTD 1997-06-03 JP disclosed