SCHEMBL7864141

SCHEMBL7864141

S=C(NCc1cc(Cl)cc(Cl)c1)NC1=CC[CH]C=C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP19A1 P11511 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MCHR1 Q99705 1/20 0.38
HPGD P15428 2/20 0.37
LMNA P02545 2/20 0.37
PLA2G1B P04054 1/20 0.37
MAOB P27338 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALOX12 P18054 1/20 0.37
POLB P06746 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
GAA P10253 2/20 0.35

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
SCHEMBL7908502 0.84 PLA2G1B (0.37) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL7638276 0.83 MEN1 (0.50) MAPTMAPK1ALDH1A1CYP19A1MEN1
SCHEMBL7981937 0.81 MAOA (0.54) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7644918 0.81 QPCT (0.45) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL7914787 0.81 MYC (0.48) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7162135 0.80 IDO1 (0.47) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7641142 0.78 NPC1 (0.58) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL7639607 0.75 TRPV1 (0.46)
SCHEMBL7161939 0.70 ALDH1A1 (0.37) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7644626 0.70 DRD2 (0.43) MAPTMAPK1ALDH1A1MEN1KMT2A

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-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed