SCHEMBL7985089

SCHEMBL7985089

CCOc1ccc(C(=O)NS(=O)(=O)CC)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.65
NPC1 O15118 5/20 0.59
RAB9A P51151 3/20 0.59
NPSR1 Q6W5P4 2/20 0.56
HPGD P15428 1/20 0.56
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.55
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
PARP10 Q53GL7 1/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.51

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
SCHEMBL7984812 0.89 PLK1 (0.59) PLK1NPC1RAB9ANPSR1HPGD
SCHEMBL7973513 0.87 MMP1 (0.61) PLK1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL7990905 0.87 PLK1 (0.65) PLK1NPC1RAB9ANPSR1HPGD
SCHEMBL7983736 0.85 CA1 (0.62) PLK1NPC1RAB9AALDH1A1KDM4E
SCHEMBL679991 0.83 PLK1 (0.59) PLK1NPC1RAB9ANPSR1HPGD
SCHEMBL14880157 0.82 PLK1 (0.73) PLK1NPC1RAB9ANPSR1HPGD
SCHEMBL7984969 0.81 KAT6A (0.61) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL30164126 0.81 PTPN1 (0.48) RAB9AALDH1A1KDM4EPARP10LMNA
SCHEMBL30163942 0.81 KMT2A (0.53) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL365523 0.81 BCL2L1 (0.59) HPGDPARP10LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4377307-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING Confo Therapeutics N.V. (BE) 2024-06-05 EP disclosed
WO-2023006893-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING CONFO THERAPEUTICS N.V. (BE) 2023-02-02 WO disclosed
US-6331628-B1 REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-18 US disclosed