SCHEMBL9830840

SCHEMBL9830840

CCOC(=O)CCNc1cc(F)c(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.45
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.40
CYP1A2 P05177 2/20 0.40
NLRP3 Q96P20 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
NPC1 O15118 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
BCL6 P41182 1/20 0.37
BCOR Q6W2J9 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TNF P01375 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL9830613 0.84 MEN1 (0.47) TOP2AMAPTKDM4ELMNAGAA
SCHEMBL9831301 0.84 TSHR (0.46) TOP2AMAPTKDM4ELMNACYP1A2
SCHEMBL9831819 0.82 LMNA (0.41) MAPTKDM4ELMNACYP1A2NLRP3
SCHEMBL9829793 0.80 TOP2A (0.53) TOP2AMAPTLMNANLRP3NPC1
SCHEMBL9831448 0.80 HPGD (0.51) TOP2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9830974 0.79 TOP2A (0.46) TOP2AMAPTKDM4ELMNACYP1A2
SCHEMBL9829162 0.78 TOP2A (0.51) TOP2AMAPTKDM4ELMNACYP1A2
SCHEMBL9832916 0.78 TOP2A (0.48) TOP2AMAPTKDM4ENLRP3NPC1
SCHEMBL9830975 0.78 TOP2A (0.47) TOP2AMAPTKDM4ELMNACYP1A2
SCHEMBL6891724 0.76 TOP2A (0.46) TOP2AMAPTLMNACYP1A2NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed
US-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed