SCHEMBL18153426

SCHEMBL18153426

Cc1ccc(-c2c(N)nc(N3CCNCC3)nc2N2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.47
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIK3R1 P27986 4/20 0.43
MTOR P42345 3/20 0.43
STK4 Q13043 1/20 0.43
STK3 Q13188 1/20 0.43
POLB P06746 1/20 0.43
PIK3CG P48736 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL1123740 0.76 ADRB1 (0.54) PIK3CAALDH1A1MEN1KMT2ALMNA
SCHEMBL1123704 0.76 ADRB1 (0.54) PIK3CAALDH1A1MEN1KMT2ALMNA
SCHEMBL27581796 0.74 USP2 (0.46) ALDH1A1L3MBTL1KDM4ETDP1SMN1; SMN2
SCHEMBL6665691 0.73 DHFR (0.51) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL5764480 0.73 LMNA (0.46) PIK3CAALDH1A1MEN1KMT2ALMNA
SCHEMBL30805488 0.71 PIK3CA (0.83) PIK3CAPIK3R1MTORPOLBPIK3CG
SCHEMBL11862881 0.71 ALDH1A1 (0.48) PIK3CAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL778162 0.70 HRH1 (0.65) PIK3CAALDH1A1KMT2ALMNAKDM4E
SCHEMBL778143 0.70 HRH1 (0.65) PIK3CAALDH1A1KMT2ALMNAKDM4E
SCHEMBL10659846 0.70 KDM4E (0.49) PIK3CAALDH1A1KMT2AKDM4EPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283472-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS Indiana University Research&Technology Corporation (US) 2018-02-21 EP disclosed
WO-2016168619-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-20 WO disclosed