SCHEMBL28075958

SCHEMBL28075958

N=C(N)NC(=N)NC(c1ccccc1)c1ccc(Cl)cc1.N=C(N)NC(=N)NCc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.47
SLC6A5 Q9Y345 6/20 0.46
TDP1 Q9NUW8 1/20 0.43
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NPY1R P25929 2/20 0.40
NPY2R P49146 1/20 0.40
NPY5R Q15761 1/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
CNR1 P21554 2/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL304995 0.88 CNR1 (0.48) SLC6A9SLC6A5CYP2C9MEN1KMT2A
Hydrochloric Acid SCHEMBL15561038 0.87 CNR1 (0.47) SLC6A9SLC6A5CYP2C9MEN1KMT2A
SCHEMBL1040794 0.83 CYP2C9 (0.58) CYP2C19CYP2C9MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL9666366 0.81 CYP2C9 (0.56) CYP2C19CYP2C9MEN1KMT2AALDH1A1
4-Chlorophenylbiguanide SCHEMBL28178959 0.81 CNR1 (0.51) SLC6A9SLC6A5CYP2C19CYP2C9MEN1
SCHEMBL17186665 0.80 LMNA (0.46) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL27282532 0.77 CNR1 (0.53) SLC6A9SLC6A5MEN1KMT2AALDH1A1
SCHEMBL1520136 0.77 GRIN2D (0.49) CYP2C19CYP2C9MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL4465134 0.75 GRIN2D (0.47) CYP2C19CYP2C9MEN1KMT2AALDH1A1
SCHEMBL17198913 0.74 ALDH1A1 (0.49) MEN1KMT2AALDH1A1LMNAALOX12

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
CN-102388122-B Fast drying amphoteric polymers for cleaning compositions 汽巴公司 2016-08-10 CN disclosed