SCHEMBL9832247

SCHEMBL9832247

CCOC(=O)CCNCc1cc(OC)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
KDM4E B2RXH2 3/20 0.44
LTA4H P09960 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HIF1A Q16665 1/20 0.43
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9830258 0.86 MEN1 (0.61) SMN1; SMN2MEN1KMT2AHDAC3HDAC1
SCHEMBL9832496 0.85 KDM4E (0.58) SMN1; SMN2MEN1KMT2AHDAC3HDAC1
SCHEMBL9832305 0.83 ALDH1A1 (0.56) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL16839800 0.81 KDM4E (0.52) SMN1; SMN2MEN1KMT2AHDAC1KDM4E
SCHEMBL63490 0.80 CYP4F2 (0.56) SMN1; SMN2KMT2AALDH1A1TDP1
SCHEMBL6136228 0.79 HDAC3 (0.58) SMN1; SMN2MEN1KMT2AHDAC3HDAC1
SCHEMBL9829498 0.79 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL3544426 0.79 KMT2A (0.51) SMN1; SMN2MEN1KMT2AHDAC3HDAC1
SCHEMBL16839719 0.78 MEN1 (0.46) MEN1KMT2ALTA4HALDH1A1
SCHEMBL537492 0.77 KDM4E (0.62) SMN1; SMN2MEN1KMT2AHDAC3HDAC1

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