SCHEMBL6997524

SCHEMBL6997524

Cc1cc([N+](=O)[O-])cc(C)c1OCCN1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.56
PTGS2 P35354 3/20 0.56
PTGS1 P23219 2/20 0.56
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 1/20 0.49
HRH3 Q9Y5N1 2/20 0.49
HTR1A P08908 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.44

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
SCHEMBL6996148 0.88 KMT2A (0.56) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17979933 0.87 KDM4E (0.53) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL7000060 0.83 POLB (0.59) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL14453651 0.82 SMN1; SMN2 (0.63) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL14398264 0.81 LTA4H (0.51) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL27901550 0.79 HTT (0.57) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL30692370 0.78 KDM4E (0.54) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL6996167 0.77 ALDH1A1 (0.55) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL2319002 0.77 KMT2A (0.57) LTA4HPTGS2KDM4EALDH1A1TDP1
SCHEMBL14578269 0.77 ALDH1A1 (0.55) LTA4HKDM4EALDH1A1TDP1HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0989985-B1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-11-05 EP disclosed
US-6133257-A Fused polycyclic 2-aminopyrimidine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2000-10-17 US disclosed
EP-0989985-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-05 EP disclosed
WO-1998058926-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-12-30 WO disclosed