SCHEMBL7860601

SCHEMBL7860601

O=C(NCCSc1ccc(Cl)c(Cl)c1)N(S)c1cc[c]cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
TEAD1 P28347 1/20 0.39
YAP1 P46937 1/20 0.39
TEAD4 Q15561 1/20 0.39
TEAD2 Q15562 1/20 0.39
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 2/20 0.36
PYGL P06737 1/20 0.34
MPI P34949 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL7573849 0.84 GRIN1 (0.40) GRIN1GRIN2BTEAD1YAP1TEAD4
SCHEMBL7860598 0.72 MAPT (0.54) HTTNPSR1HPGDSMN1; SMN2MEN1
SCHEMBL7865609 0.72 TRPV1 (0.40) HTTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL7868217 0.71 HIF1A (0.47) NPC1RAB9AMAPT
SCHEMBL7860623 0.71 MEN1 (0.58) NPSR1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL7673079 0.69 ALDH1A1 (0.51) HTTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9232118 0.68 ALDH1A1 (0.35) ALDH1A1
SCHEMBL6817087 0.65 NPC1 (0.44) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7594776 0.65 HPGD (0.46) HPGDNPC1RAB9ASMN1; SMN2POLB
SCHEMBL7599731 0.65 CNR1 (0.42) HPGDNPC1RAB9ASMN1; SMN2POLB

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
EP-1137645-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed