SCHEMBL3907119

SCHEMBL3907119

Clc1ccccc1NCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
PKM P14618 1/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MAPK14 Q16539 1/20 0.48
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
NSD2 O96028 1/20 0.47
HSP90AA1 P07900 1/20 0.47
G6PD P11413 1/20 0.47
CCR6 P51684 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
TLR9 Q9NR96 1/20 0.47
TAAR1 Q96RJ0 3/20 0.47
LMNA P02545 2/20 0.47
ATM Q13315 1/20 0.47
KDM1A O60341 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL3904040 0.84 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2MAPTPKMRAB9A
SCHEMBL9421891 0.83 MAPT (0.52) SMN1; SMN2MAPTLMNAALDH1A1CYP1A2
SCHEMBL9837512 0.80 PBRM1 (0.54) SMN1; SMN2MAPTPKMRAB9ANPC1
SCHEMBL2316630 0.79 HSD17B10 (0.59) L3MBTL1MAPTPKMMAPK14ALDH1A1
SCHEMBL23198328 0.79 CCNC (0.45) L3MBTL1SMN1; SMN2MAPTPKMRAB9A
SCHEMBL3711850 0.79 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2MAPTPKMRAB9A
SCHEMBL11505439 0.77 MAPT (0.47) SMN1; SMN2MAPTLMNAALDH1A1CYP1A2
SCHEMBL8150179 0.77 MAPT (0.58) L3MBTL1SMN1; SMN2MAPTPKMRAB9A
SCHEMBL6032214 0.76 L3MBTL1 (0.53) L3MBTL1SMN1; SMN2MAPTPKMRAB9A
SCHEMBL3910980 0.76 L3MBTL1 (0.59) L3MBTL1SMN1; SMN2MAPTPKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101585774-B Synthetic method of N-aralkyl anilines compound UNIV SOUTHWEST 2013-01-09 CN disclosed
CN-101585774-A Synthetic method of N-aralkyl anilines compound UNIV SOUTHWEST (CN) 2009-11-25 CN disclosed
EP-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed
CN-87100686-A 3-alkoxyl group-2-aminopropylamines as cardiovascular agents 1987-10-14 CN disclosed