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SCHEMBL7782465

SCHEMBL7782465

CC(=O)Nc1ccc(NC(=O)C(F)(F)F)c(C#N)c1.CC(=O)Nc1ccc(NC(=O)C(F)(F)F)c(C(F)(F)F)c1.N#Cc1cc(C(N)=O)ccc1NC(=O)C(F)(F)F.O=C(Nc1ccc(NC(=O)C(F)(F)F)c(C(F)(F)F)c1)c1ccccc1F.O=C(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F.O=C(O)c1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.41
▸ MEN1 O00255 7/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTT P42858 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RORC P51449 1/20 0.34
▸ ABCC9 O60706 1/20 0.34
▸ ABCC8 Q09428 1/20 0.34
▸ KCNJ11 Q14654 1/20 0.34
▸ KCNJ8 Q15842 1/20 0.34

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
SCHEMBL7782468 0.93 MAPT (0.42) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL7783888 0.78 MAPT (0.61) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL7860653 0.73 KMT2A (0.51) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL7785147 0.72 MEN1 (0.49) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL6810989 0.71 KMT2A (0.52) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL7783831 0.71 ALDH1A1 (0.44) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL7078687 0.69 KMT2A (0.56) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL6819393 0.68 ALDH1A1 (0.76) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL7666015 0.68 GFER (0.47) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL6815263 0.67 MAPT (0.60) MAPTMEN1KMT2AALDH1A1HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 — — 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-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 — — WO disclosed