SCHEMBL7783083

SCHEMBL7783083

N#Cc1ccc(CCNC(=S)Nc2ccc(NC(=O)c3ccccc3F)c(C#N)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.44
KMT2A Q03164 6/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 4/20 0.43
PLA2G1B P04054 1/20 0.43
GAA P10253 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
ALDH1A1 P00352 6/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 2/20 0.43
CNR1 P21554 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
ALOX12 P18054 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL7782994 0.94 MAPT (0.51) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL7570576 0.92 RAB9A (0.49) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL7600495 0.90 RAB9A (0.48) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL7575153 0.90 MAPT (0.52) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL7568870 0.89 RAB9A (0.48) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL7595962 0.89 RAB9A (0.57) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL7785911 0.86 RAB9A (0.45) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL7782953 0.86 KMT2A (0.51) RAB9AKMT2AMAPTMEN1GAA
SCHEMBL7600052 0.86 RAB9A (0.48) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL7600178 0.84 ALDH1A1 (0.44) RAB9AKMT2AMAPTMEN1GAA

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 12 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 claimed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO claimed
EP-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
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
EP-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137647-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO 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
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed