SCHEMBL7777665

SCHEMBL7777665

CO/N=C(\C)c1ccc(Br)c(Br)c1.CO/N=C(\C)c1ccc(F)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
PTBP1 P26599 1/20 0.38
RAB9A P51151 2/20 0.37
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
F2R P25116 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GSK3B P49841 1/20 0.31
CASP3 P42574 1/20 0.31

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
SCHEMBL7863641 0.94 CASP3 (0.40) SMN1; SMN2LMNAPTBP1RAB9ATRPA1
SCHEMBL6815992 0.89 TRPA1 (0.39) SMN1; SMN2LMNAPTBP1RAB9ATRPA1
SCHEMBL6815999 0.89 TRPA1 (0.39) SMN1; SMN2LMNAPTBP1RAB9ATRPA1
SCHEMBL6811303 0.84 GSK3B (0.41) SMN1; SMN2LMNAPTBP1RAB9ACYP1A2
SCHEMBL6811307 0.84 GSK3B (0.41) SMN1; SMN2LMNAPTBP1RAB9ACYP1A2
SCHEMBL7868304 0.83 CA12 (0.34) SMN1; SMN2RAB9ACA12CA1CA2
SCHEMBL7571034 0.82 CASP3 (0.47) SMN1; SMN2LMNARAB9ACYP1A2CA12
SCHEMBL7570657 0.81 RAB9A (0.39) SMN1; SMN2LMNAPTBP1RAB9ACYP1A2
SCHEMBL7777668 0.78 TRPA1 (0.35) TRPA1KDM4E
SCHEMBL6814922 0.73 CES2 (0.47) SMN1; SMN2LMNAPTBP1RAB9ATRPA1

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 4 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
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES 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
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed