SCHEMBL23640939

SCHEMBL23640939

CNCCCN(CCCC#N)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
ACKR3 P25106 1/20 0.40
APP P05067 1/20 0.40
ATM Q13315 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
PIM1 P11309 1/20 0.39
BCHE P06276 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7877735 0.87 ALDH1A1 (0.48) POLBGAABCHEALDH1A1
SCHEMBL26003725 0.86 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ASIGMAR1HRH1
SCHEMBL10962715 0.84 POLB (0.47) POLBGAABCHEALDH1A1
SCHEMBL154270 0.84 ALDH1A1 (0.48) MEN1KMT2APOLBGAABCHE
SCHEMBL1239442 0.84 L3MBTL1 (0.55) L3MBTL1MEN1KMT2ASIGMAR1HTR2A
Hydrochloric Acid SCHEMBL1242121 0.82 MEN1 (0.58) L3MBTL1MEN1KMT2ASIGMAR1HTR2A
Hydrochloric Acid SCHEMBL11203276 0.82 ALDH1A1 (0.47) POLBGAABCHEALDH1A1
SCHEMBL17508109 0.82 ALDH1A1 (0.47) POLBGAABCHEALDH1A1
SCHEMBL154265 0.81 KCNH2 (0.51) SIGMAR1APPBCHE
SCHEMBL8987713 0.79 HDAC3 (0.49) POLBGAABCHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848355-A1 ASYMMETRIC BISAMINOQUINOLINES AND BISAMINOQUINOLINES WITH VARIED LINKERS AS AUTOPHAGY INHIBITORS FOR CANCER AND OTHER THERAPY The Trustees Of The University Of Pennsylvania (US) 2021-07-14 EP disclosed