SCHEMBL9833149

SCHEMBL9833149

O=C1CCN(c2cc(Cl)c(Cl)cc2Cl)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
ALDH1A3 P47895 2/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
ALDH1A1 P00352 5/20 0.33
MAPT P10636 5/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
ALDH3A1 P30838 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADRA1B P35368 2/20 0.32
NOTUM Q6P988 1/20 0.32
HCAR1 Q9BXC0 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL10407522 0.81 AKR1C3 (0.48) HSP90AA1ALDH1A3ALDH1A1MAPTLMNA
SCHEMBL9831059 0.80 ADRA1B (0.51) ALDH1A1MAPTMAPK1SMN1; SMN2KMT2A
SCHEMBL10407412 0.77 ALOX5 (0.50) MKNK1MKNK2ALDH1A1MAPTL3MBTL1
SCHEMBL9832359 0.74 BAZ2B (0.47) HSP90AA1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9832904 0.74 ADRB1 (0.51) ALDH1A1MAPTLMNAMAPK1HTT
SCHEMBL17543608 0.74 ALDH1A1 (0.45) ALDH1A3ALDH1A1MAPTLMNAMAPK1
SCHEMBL17544147 0.74 ALDH1A1 (0.45) ALDH1A3ALDH1A1MAPTLMNAMAPK1
SCHEMBL9830105 0.73 HSP90AA1 (0.37) HSP90AA1MKNK1MKNK2ALDH1A1SMN1; SMN2
SCHEMBL9830246 0.73 HSP90AA1 (0.37) HSP90AA1MKNK1MKNK2KMT2ANOTUM
SCHEMBL10408072 0.73 DRD3 (0.53) NOTUM

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 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
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