SCHEMBL8699417

SCHEMBL8699417

NCCCCCCc1ccc2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
TDP1 Q9NUW8 11/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 3/20 0.50
MEN1 O00255 3/20 0.50
POLB P06746 3/20 0.50
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
THRB P10828 2/20 0.50
NPC1 O15118 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
HBB P68871 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SENP7 Q9BQF6 1/20 0.50

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
SCHEMBL8701324 0.94 MAOA (0.56) MAOAMAOBTDP1ALDH1A1MAPK1
SCHEMBL14353222 0.94 MAOA (0.59) MAOAMAOBTDP1ALDH1A1MAPK1
SCHEMBL3991531 0.88 MAOA (0.59) MAOAMAOBTDP1ALDH1A1MAPK1
SCHEMBL27631765 0.87 ELANE (0.59) MAOAMAOBTDP1ALDH1A1MAPK1
SCHEMBL28056451 0.85 ELANE (0.58) MAOAMAOBTDP1ALDH1A1MAPK1
SCHEMBL8359453 0.84 MEN1 (0.55) MAOAMAOBTDP1ALDH1A1MAPK1
SCHEMBL29257073 0.83 ADORA2A (0.47) TDP1ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL8022619 0.82 TDP1 (0.47) MAOATDP1RXRA
SCHEMBL16145028 0.80 ALDH1A1 (0.58) MAOAMAOBTDP1ALDH1A1MAPK1
SCHEMBL27593593 0.80 MAPK1 (0.58) MAOAMAOBTDP1ALDH1A1MAPK1

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
US-5733880-A ANTITUMOR AGENTS NAPIER UNIVERSITY VENTURES LIMITED (GB) 1998-03-31 US disclosed