SCHEMBL7784366

SCHEMBL7784366

NC(=O)c1ccc(N)cc1.O=C(O)c1ccc(Br)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.46
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
POLB P06746 3/20 0.43
USP2 O75604 1/20 0.43
GFER P55789 1/20 0.43
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 4/20 0.40
TSHR P16473 4/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 5/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 1/20 0.40
APEX1 P27695 1/20 0.40
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL7784369 0.90 ALDH1A1 (0.47) RAB9ANPC1KMT2AALDH1A1TSHR
SCHEMBL7784402 0.84 PARP10 (0.46) PARP10POLBPLA2G10PLA2G2AKMT2A
SCHEMBL7777749 0.81 PARP10 (0.46) PARP10POLBPLA2G10PLA2G2AKMT2A
SCHEMBL216529 0.80
Hydrochloric Acid SCHEMBL10707936 0.78 ALDH1A1 (0.53) RAB9ANPC1KMT2AALDH1A1TSHR
SCHEMBL7785925 0.78 PARP10 (0.44) PARP10RAB9ANPC1POLBGFER
SCHEMBL7783278 0.77 PARP10 (0.42) PARP10RAB9ANPC1POLBPLA2G10
SCHEMBL29013100 0.76 TDP1 (0.50) POLBUSP2GFERKMT2AALDH1A1
5-Nitro-2-Furoic Acid SCHEMBL7777730 0.76 LMNA (0.48) PARP10RAB9ANPC1USP2KMT2A
SCHEMBL7777704 0.75 PARP10 (0.44) PARP10RAB9ANPC1POLBGFER

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
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-1137632-A1 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
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING 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-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO 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