SCHEMBL7660223

SCHEMBL7660223

Nc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
ALDH1A1 P00352 5/20 0.68
RAB9A P51151 3/20 0.68
MAOA P21397 2/20 0.68
MAOB P27338 2/20 0.68
IDO1 P14902 1/20 0.68
LMNA P02545 4/20 0.66
HTT P42858 3/20 0.66
CYP1A2 P05177 3/20 0.66
CYP2C19 P33261 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
CYP3A4 P08684 2/20 0.66
MAPK1 P28482 2/20 0.66
EPHX1 P07099 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
CYP2D6 P10635 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALOX15 P16050 1/20 0.54

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
SCHEMBL5455602 0.89 MAPT (0.83) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL8956372 0.89 MAPT (0.83) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL7663903 0.83 MEN1 (0.68) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL6816155 0.82 KMT2A (0.75) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL7642500 0.81 MAPT (0.59) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL5077463 0.81 KMT2A (1.00) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL9036606 0.81 IDO1 (1.00) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL5137359 0.81 ALDH1A1 (1.00) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL6814672 0.81 MAPT (0.74) MAPTMEN1KMT2AALDH1A1RAB9A
Hydrochloric Acid SCHEMBL3717430 0.81 EPHX1 (0.71) MEN1KMT2AALDH1A1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US claimed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
US-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-6335350-B1 VARICELLA-ZOSTER, HUMAN CYTOMEGALO, EPSTEIN-BARR AND KAPOSI HERPESVIRUS TREATMENT AMERICAN HOME PRODUCTS CORPORATION 2002-01-01 US disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed