SCHEMBL7784341

SCHEMBL7784341

CON=C(C)c1cccc(C)c1.CON=CCc1ccc(N2CCOCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.49
LMNA P02545 5/20 0.42
ALDH1A1 P00352 4/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 3/20 0.41
PKM P14618 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
AGXT P21549 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL7784338 0.86 MAPT (0.64) MAPTLMNAALDH1A1ALOX12SMN1; SMN2
SCHEMBL7863659 0.86 MAPT (0.64) MAPTLMNAALDH1A1ALOX12SMN1; SMN2
SCHEMBL6811645 0.74 MAPT (0.55) MAPTALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL6811647 0.74 MAPT (0.55) MAPTALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL7861383 0.73 HIF1A (0.39) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL6811343 0.72 NPC1 (0.46) SMN1; SMN2HTTPKMNPC1RAB9A
SCHEMBL29778327 0.72 NPC1 (0.46) SMN1; SMN2HTTPKMNPC1RAB9A
SCHEMBL6811346 0.72 NPC1 (0.46) SMN1; SMN2HTTPKMNPC1RAB9A
SCHEMBL7846221 0.70 KMT2A (0.43)
SCHEMBL15597543 0.69 L3MBTL1 (0.62) MAPTLMNAALDH1A1SMN1; SMN2HTT

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-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING 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
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034269-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