SCHEMBL9829910

SCHEMBL9829910

CCOC(=O)C1CN(Cc2ccccc2OC)CC1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 5/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 3/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TACR1 P25103 2/20 0.44
HTT P42858 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2D6 P10635 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
SCHEMBL9829058 0.87 ALDH1A1 (0.60) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL9831079 0.85 ALDH1A1 (0.56) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL9832321 0.85 ALDH1A1 (0.65) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL10408282 0.85 KDM4E (0.51) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL183706 0.82 ALDH1A1 (0.52) MEN1KMT2AALDH1A1KDM4E
SCHEMBL9831628 0.81 HPGD (0.56) MEN1KMT2AALDH1A1KDM4ETSHR
Hydrochloric Acid SCHEMBL183705 0.81 ALDH1A1 (0.51) MEN1KMT2AALDH1A1KDM4E
SCHEMBL9830351 0.81 KDM4E (0.54) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL10408322 0.79 ALDH1A1 (0.50) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL9831746 0.79 KDM4E (0.48) MEN1KMT2AALDH1A1KDM4EPOLB

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
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