SCHEMBL9008401

SCHEMBL9008401

COc1ccc(CCNc2nc(Cl)nc(NCCc3ccc(OC)c(OC)c3)n2)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.72
TSHR P16473 2/20 0.72
APP P05067 3/20 0.62
POLB P06746 4/20 0.60
ALOX15 P16050 2/20 0.60
USP2 O75604 1/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
GAA P10253 3/20 0.60
MAPT P10636 4/20 0.58
TP53 P04637 3/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
ATM Q13315 1/20 0.56
BCHE P06276 2/20 0.56
ACHE P22303 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56

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 0.93 LMNA (0.83) LMNATSHRAPPPOLBALOX15
SCHEMBL20511111 0.84 GAA (0.61) LMNATSHRAPPPOLBGAA
SCHEMBL14028292 0.83 TSHR (0.72) LMNATSHRAPPPOLBALOX15
SCHEMBL8990782 0.82 LMNA (0.71) LMNATSHRAPPPOLBALOX15
SCHEMBL9008381 0.80 LMNA (0.62) LMNATSHRAPPPOLBALOX15
SCHEMBL210539 0.79 SMN1; SMN2 (0.64) LMNATSHRAPPPOLBALOX15
SCHEMBL9008399 0.78 SMN1; SMN2 (0.67) LMNATSHRAPPPOLBALOX15
SCHEMBL6335176 0.78 CA1 (0.57) LMNATSHRMAPTCYP1A2CYP3A4
SCHEMBL19182182 0.78 APP (0.63) LMNATSHRAPPPOLBMAPT
SCHEMBL4490252 0.76 LMNA (0.66) LMNATSHRAPPPOLBALOX15

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 3 patents. 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
EP-0613477-A1 TRIAZINE DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY PFIZER INC. (US) 1994-09-07 EP disclosed
WO-1993010116-A1 TRIAZINE DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY PFIZER INC. (US) 1993-05-27 WO disclosed