SCHEMBL7594299

SCHEMBL7594299

NC(=O)c1ccc(N(S)C(=O)Nc2cccc(Br)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.46
KDR P35968 1/20 0.44
GAA P10253 1/20 0.43
TGM2 P21980 1/20 0.43
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAOB P27338 2/20 0.41
ATM Q13315 1/20 0.41
IDO1 P14902 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
P2RX1 P51575 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
GRM5 P41594 1/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL6815994 0.88 MEN1 (0.51) PARP1MEN1KMT2APARP15PARP14
SCHEMBL6814470 0.85 DDX3X (0.50) PARP1SMN1; SMN2MEN1KMT2APARP15
SCHEMBL6814449 0.85 KMT2A (0.47) PARP1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6811291 0.84 ALDH1A1 (0.48) RAB9AMEN1KMT2ALMNATP53
SCHEMBL6816596 0.84 KMT2A (0.49) PARP1RAB9AMEN1KMT2APARP15
SCHEMBL6811424 0.84 MEN1 (0.49) PARP1KDRGAATGM2RAB9A
SCHEMBL7945534 0.84 CSF1R (0.49) PARP1KDRRAB9ASMN1; SMN2MEN1
SCHEMBL7587767 0.84 SIGMAR1 (0.42) PARP1MEN1KMT2APARP15PARP14
SCHEMBL6815442 0.84 RAB9A (0.47) PARP1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7660219 0.83 KMT2A (0.44) KDRTGM2SMN1; SMN2MEN1KMT2A

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 12 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
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
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
EP-1144399-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
US-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 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
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed