SCHEMBL30565166

SCHEMBL30565166

O=C(NCc1cccnc1)c1cncs1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.58
RECQL P46063 1/20 0.57
TSHR P16473 2/20 0.57
HTT P42858 3/20 0.57
USP2 O75604 1/20 0.57
MMP13 P45452 1/20 0.57
HPGD P15428 1/20 0.56
KMT2A Q03164 4/20 0.55
PKM P14618 1/20 0.55
ALDH1A1 P00352 4/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.53
MEN1 O00255 2/20 0.53
ALOX15 P16050 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA2B P29275 1/20 0.53

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
SCHEMBL3459320 1.00 NPSR1 (0.58) NPSR1RECQLTSHRHTTUSP2
SCHEMBL3047693 0.87 GLA (0.52) TSHRUSP2MMP13HPGDKMT2A
SCHEMBL30565171 0.84 SMN1; SMN2 (0.54) HTTMMP13KMT2AALDH1A1MAPT
SCHEMBL4194312 0.83 VNN1 (0.62) NPSR1RECQLTSHRHTTUSP2
SCHEMBL31185460 0.83 VNN1 (0.62) NPSR1RECQLTSHRHTTUSP2
SCHEMBL30565173 0.81 WDR5 (0.43) TSHRHTTMMP13HPGDKMT2A
SCHEMBL1588305 0.79 RECQL (0.60) NPSR1RECQLTSHRHTTUSP2
SCHEMBL14625755 0.78 NPSR1 (0.56) NPSR1RECQLTSHRHTTUSP2
SCHEMBL7082686 0.77 TSHR (0.73) NPSR1RECQLTSHRHTTUSP2
SCHEMBL4203321 0.77 HPGD (0.59) HTTHPGDKMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452245-A1 COMBINATION OF AN ALPHA 2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A MUSCARINIC RECEPTOR ANTAGONIST FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2024-10-30 EP disclosed
WO-2023118098-A1 COMBINATION OF AN α2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A MUSCARINIC RECEPTOR ANTAGONIST FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 WO disclosed