SCHEMBL4756063

SCHEMBL4756063

[CH]c1ccccc1NCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TAAR1 Q96RJ0 2/20 0.47
CYP3A4 P08684 2/20 0.47
NPC1 O15118 2/20 0.47
ATM Q13315 1/20 0.47
KDM1A O60341 1/20 0.47
CYP1A2 P05177 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
IDO1 P14902 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MAOA P21397 1/20 0.47

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
SCHEMBL897466 0.76 L3MBTL1 (0.53) L3MBTL1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL8557281 0.76 L3MBTL1 (0.53) L3MBTL1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL7443912 0.76 L3MBTL1 (0.53) L3MBTL1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL6032214 0.76 L3MBTL1 (0.53) L3MBTL1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL3910980 0.76 L3MBTL1 (0.59) L3MBTL1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL3907119 0.76 L3MBTL1 (0.53) L3MBTL1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL6542650 0.76 MAPT (0.69) L3MBTL1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL3047149 0.76 L3MBTL1 (0.53) L3MBTL1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL28391601 0.74 L3MBTL1 (0.62) L3MBTL1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL6513356 0.73 GAA (0.54) L3MBTL1RAB9AALDH1A1LMNASMN1; SMN2

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
WO-2008156320-A1 MAGNETIC NANOCATALYST COMPOSITION AND METHOD FOR THE PREPARATION THEREOF POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2008-12-24 WO disclosed
US-4248677-A ELECTROCHEMICAL REDUCTION OF IMINES TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1981-02-03 US disclosed