SCHEMBL8773694

SCHEMBL8773694

[CH2]CNCCNCCNCCNCC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.53
MEN1 O00255 1/20 0.53
GLA P06280 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 1/20 0.50
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.41
KDM1A O60341 5/20 0.40
SAT1 P21673 3/20 0.39
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL144566 1.00 CYP2C19 (0.53) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL146820 0.97
SCHEMBL10364450 0.85 CYP2C19 (0.63) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL10364489 0.85
SCHEMBL2537546 0.83 LMNA (0.38) MEN1KMT2ATP53ALDH1A1
SCHEMBL21694480 0.83 LMNA (0.38) MEN1KMT2ATP53ALDH1A1
SCHEMBL1543426 0.83 CYP2C19 (0.71) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL2893263 0.83 CYP2C19 (0.71) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL10365424 0.82 CYP2C19 (0.60) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL10363453 0.82 CYP2C19 (0.60) CYP2C19MEN1GLAKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680627-B1 ELECTROSTATIC TONERS CONTAINING AMINODIACETIC ACID DERIVATIVES BASF AG (DE) 1997-10-29 EP disclosed
US-5663028-A POLYMER BINDERS AND CHARGE STABILIZER WITH COLORS BASF AKTIENGESELLSCHAFT (DE) 1997-09-02 US disclosed
EP-0596292-B1 Quaterrylene tetracarboxylic imides BASF AG (DE) 1996-07-31 EP disclosed
EP-0680627-A1 ELECTROSTATIC TONERS CONTAINING AMINODIACETIC ACID DERIVATIVES. BASF AG (DE) 1995-11-08 EP disclosed
US-5405962-A Quaterrylenetetracarbimides BASF AKTIENGESELLSCHAFT (DE) 1995-04-11 US disclosed
WO-1995005624-A1 ELECTROSTATIC TONERS CONTAINING AMINODIACETIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1995-02-23 WO disclosed
EP-0596292-A1 Quaterrylene tetracarboxylic imides BASF Aktiengesellschaft (DE) 1994-05-11 EP disclosed