SCHEMBL9008399

SCHEMBL9008399

COc1ccc(CCNc2ncncn2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
LMNA P02545 4/20 0.66
TSHR P16473 4/20 0.66
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPK1 P28482 1/20 0.59
STAT3 P40763 1/20 0.59
USP2 O75604 1/20 0.58
POLB P06746 4/20 0.58
ATM Q13315 2/20 0.58
APP P05067 1/20 0.56
ALOX15 P16050 2/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KDM4E B2RXH2 2/20 0.55
GLA P06280 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 5/20 0.54
HTT P42858 3/20 0.54

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
SCHEMBL9008391 0.84 LMNA (0.83) SMN1; SMN2LMNATSHRMEN1KMT2A
SCHEMBL14028292 0.78 TSHR (0.72) LMNATSHRMEN1KMT2AUSP2
SCHEMBL9008401 0.78 LMNA (0.72) SMN1; SMN2LMNATSHRMEN1KMT2A
SCHEMBL8990782 0.77 LMNA (0.71) LMNATSHRMEN1KMT2AUSP2
SCHEMBL5596807 0.77 LMNA (0.59) SMN1; SMN2LMNATSHRMEN1KMT2A
SCHEMBL1581342 0.76 ATM (0.67) SMN1; SMN2LMNATSHRMEN1KMT2A
SCHEMBL7435099 0.76 ATM (0.76) SMN1; SMN2MEN1KMT2APOLBATM
SCHEMBL557799 0.74 ATM (1.00) SMN1; SMN2LMNATSHRKMT2APOLB
Hydrochloric Acid SCHEMBL11808765 0.74 ATM (0.73) SMN1; SMN2MEN1KMT2APOLBATM
SCHEMBL30230461 0.74 ATM (1.00) SMN1; SMN2LMNATSHRKMT2APOLB

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-5536722-A Triazine derivatives for enhancing antitumor activity PFIZER INC. (US) 1996-07-16 US disclosed