SCHEMBL7785377

SCHEMBL7785377

COc1cc(N)ccc1C(N)=O.COc1cc(N)ccc1NC(=O)c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 2/20 0.58
SMN1; SMN2 Q16637 6/20 0.56
RAB9A P51151 4/20 0.56
MEN1 O00255 3/20 0.56
LMNA P02545 1/20 0.56
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
PYGL P06737 2/20 0.53
MAPT P10636 4/20 0.52
GAA P10253 1/20 0.52
NPC1 O15118 4/20 0.52
HPGD P15428 1/20 0.49
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL6819242 0.93 KMT2A (0.65) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL29887369 0.93 KMT2A (0.65) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL7785379 0.88 KMT2A (0.60) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL3850748 0.83 MAPT (0.63) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL28589510 0.82 SMN1; SMN2 (0.54) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL758414 0.81 MAPT (0.62) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL29886209 0.78 ALDH1A1 (0.65) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL16592667 0.78 ALDH1A1 (0.65) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL7079773 0.78 KMT2A (0.69) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL1354320 0.77 ALDH1A1 (0.73) ALDH1A1KDM4EMAPTGAAHPGD

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-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed