SCHEMBL7004145

SCHEMBL7004145

Nc1ccc(CCc2ccccc2N)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.64
MAOA P21397 4/20 0.64
GFER P55789 2/20 0.61
CYP19A1 P11511 4/20 0.50
SIGMAR1 Q99720 2/20 0.45
RECQL P46063 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL88596 0.86 MAOB (0.56) MAOBMAOASIGMAR1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8746158 0.84 MAOB (0.58) MAOBMAOASIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL234864 0.83 CYP3A4 (0.53) SIGMAR1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL6205019 0.83 TAAR1 (0.48) MAOBMAOAGFERSIGMAR1LOXL2
SCHEMBL39484 0.80 CYP3A4 (0.56) MAOBMAOAGFERCYP19A1ALDH1A1
SCHEMBL29372857 0.80 CYP3A4 (0.56) MAOBMAOAGFERCYP19A1ALDH1A1
SCHEMBL10386153 0.79 TAAR1 (0.61) MAOBMAOAGFERCYP19A1
SCHEMBL10386192 0.79 TAAR1 (0.61) MAOBMAOAGFERCYP19A1RECQL
SCHEMBL6226356 0.79 ABCB1 (0.56) MAOBCYP19A1
SCHEMBL4082319 0.79 MAOB (1.00) MAOBMAOAGFERCYP19A1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268409-A1 CONTINUOUS PROCESS FOR THE SYNTHESIS OF AROMATIC URETHANES Enichem S.p.A. (IT) 2003-01-02 EP claimed
WO-2001068590-A1 CONTINUOUS PROCESS FOR THE SYNTHESIS OF AROMATIC URETHANES ENICHEM S.P.A. (IT) 2001-09-20 WO claimed
US-6051677-A Gas separating membrane having a polycarbodiimide resin layer NITTO DENKO CORPORATION (JP) 2000-04-18 US disclosed