SCHEMBL8668403

SCHEMBL8668403

N=C(N)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 3/20 0.47
SCN5A Q14524 1/20 0.47
SCN2A Q99250 1/20 0.47
PPIA P62937 1/20 0.46
JAK2 O60674 2/20 0.46
TYK2 P29597 2/20 0.46
HPGD P15428 1/20 0.46
CYP3A4 P08684 1/20 0.46
JAK1 P23458 1/20 0.46
KMT2A Q03164 1/20 0.45
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
APAF1 O14727 1/20 0.42
TDP2 O95551 1/20 0.42
NSD2 O96028 1/20 0.42
ABL1 P00519 1/20 0.42

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
Hydrochloric Acid SCHEMBL7942179 0.98 MAPT (0.46) MAPTALDH1A1SCN5ASCN2APPIA
SCHEMBL11440641 0.84 JAK2 (0.53) MAPTALDH1A1SCN5ASCN2APPIA
SCHEMBL5467787 0.83 GAA (0.49) ALDH1A1PPIAJAK2TYK2HPGD
SCHEMBL8416208 0.79 POLB (0.60) ALDH1A1PPIAHPGDKMT2AGAA
Hydrochloric Acid SCHEMBL8391036 0.79 P2RX7 (0.51) ALDH1A1SCN5ASCN2AJAK2KMT2A
Hydrochloric Acid SCHEMBL8390597 0.78 KDM4E (0.63) MAPTALDH1A1PPIAHPGDKMT2A
SCHEMBL5467789 0.76 KDM4E (0.65) MAPTALDH1A1SCN5ASCN2APPIA
Hydrochloric Acid SCHEMBL8390632 0.76 KMT2A (0.47) ALDH1A1PPIAJAK2TYK2HPGD
SCHEMBL4377125 0.75 ALDH1A1 (0.56) MAPTALDH1A1JAK2TYK2HPGD
SCHEMBL21884596 0.75 CYP3A4 (0.39) ALDH1A1SCN5ASCN2ACYP3A4KMT2A

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-0025269-B1 ANTI-DIARRHOEA VETERINARY COMPOSITION BEECHAM GROUP PLC (GB) 1985-11-13 EP claimed
JP-10081662-A None JP disclosed
JP-H1081662-A BIS-ORTHO-SUBSTITUTED BENZOYLGUANIDINE, ITS PRODUCTION, ITS USE AS MEDICINE OR DIAGNOSTIC AGENT AND MEDICINE CONTAINING THE COMPOUND HOECHST AG 1998-03-31 JP disclosed