SCHEMBL30457588

SCHEMBL30457588

COC(=O)c1cc2nc(C)sc2cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
ALDH1A1 P00352 3/20 0.52
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
RAB9A P51151 8/20 0.47
NPC1 O15118 5/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HPGD P15428 2/20 0.47
MCL1 Q07820 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL25232489 1.00 MAPT (0.52) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL25275813 0.86 MAPT (0.53) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL31120909 0.86 MAPT (0.53) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL25280362 0.83 GAA (0.40) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL30457771 0.83 GAA (0.40) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL22836538 0.78 PDGFRB (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL25421722 0.78 ALOX15 (0.55) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL30697742 0.78 NPC1 (0.48) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30317932 0.78 SMN1; SMN2 (0.52) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL28991053 0.78 SMN1; SMN2 (0.52) MAPTMEN1KMT2AALDH1A1HTT

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-4448500-A1 BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
CN-118401502-A Benzothiazole, benzisoxazole and benzodioxole analogs as RXFP1 receptor agonists 百时美施贵宝公司 2024-07-26 CN disclosed
WO-2023114822-A1 BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed