SCHEMBL7629801

SCHEMBL7629801

Nc1cccc(OC2(Oc3cccc(N)c3)C=CC=CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAOB P27338 2/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ATM Q13315 1/20 0.35
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
TSHR P16473 1/20 0.34
APP P05067 1/20 0.33
LTA4H P09960 1/20 0.31
MEN1 O00255 1/20 0.31
MITF O75030 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NLRP1 Q9C000 1/20 0.31

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
SCHEMBL30302594 1.00 CYP3A4 (0.42) CYP3A4ALDH1A1MAOBTP53MAPT
SCHEMBL10355877 0.80 TDP1 (0.37) CYP3A4ALDH1A1MAOBMAPTPOLB
SCHEMBL10538815 0.79 LTA4H (0.32) TSHRLTA4H
SCHEMBL28213857 0.78 MAOB (0.42) CYP3A4ALDH1A1MAOBTP53MAPT
SCHEMBL9001097 0.75 MAOB (0.46) CYP3A4ALDH1A1MAOBTP53MAPT
SCHEMBL7629797 0.73 ALDH1A1 (0.47) CYP3A4ALDH1A1MAOBTP53MAPT
SCHEMBL29720375 0.71 MAOB (0.41) CYP3A4ALDH1A1MAOBTP53MAPT
SCHEMBL1270085 0.71 MAOB (0.41) CYP3A4ALDH1A1MAOBTP53MAPT
SCHEMBL5158041 0.71 ALDH1A1 (0.36) CYP3A4ALDH1A1MAOBTP53MAPT
SCHEMBL23830115 0.69 ALDH1A1 (0.47) CYP3A4ALDH1A1MAOBTP53MAPT

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
US-6458912-B1 1,3-BIS(4-AMINOPHENOXY)BENZENE REPRESENTED BY THE CHEMICAL FORMULA (3) FOR PRODUCTION OF THE ABOVE POLYIMIDE, CHARACTERIZED IN THAT THE CONTENT OF AN AZO COMPOUND IS FROM 0.0 TO 0.2%. THE THERMOPLASTIC POLYIMIDE OF THE PRESENT MITSUI CHEMICALS, INC. (JP) 2002-10-01 US disclosed
EP-1090945-A1 CRYSTALLINE POLYIMIDE FOR MELT MOLDING WITH SATISFACTORY THERMAL STABILITY Mitsui Chemicals, Inc. (JP) 2001-04-11 EP disclosed