SCHEMBL29950449

SCHEMBL29950449

COc1ccc(CNC(=O)c2nc(Cl)c3cnn(C)c3n2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 2/20 0.51
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
MAPT P10636 7/20 0.46
TP53 P04637 3/20 0.46
MAOB P27338 1/20 0.46
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL27028480 1.00 BCDIN3D (0.51) BCDIN3DTSHRNPSR1ALDH1A1TAS1R3
SCHEMBL23115900 0.83 TSHR (0.54) BCDIN3DTSHRNPSR1ALDH1A1TAS1R3
SCHEMBL29766092 0.83 TSHR (0.54) BCDIN3DTSHRNPSR1ALDH1A1TAS1R3
SCHEMBL2856684 0.79 TAS1R3 (0.58) TSHRNPSR1ALDH1A1TAS1R3TAS1R1
SCHEMBL27028479 0.76 TSHR (0.42) BCDIN3DTSHRNPSR1ALDH1A1TAS1R3
SCHEMBL23115811 0.75 TSHR (0.54) BCDIN3DTSHRNPSR1ALDH1A1TAS1R3
SCHEMBL29765894 0.75 TSHR (0.54) BCDIN3DTSHRNPSR1ALDH1A1TAS1R3
SCHEMBL29766042 0.74 TSHR (0.53) BCDIN3DTSHRNPSR1ALDH1A1TAS1R3
SCHEMBL23115782 0.74 TSHR (0.53) BCDIN3DTSHRNPSR1ALDH1A1TAS1R3
SCHEMBL28786733 0.74 TSHR (0.53) BCDIN3DTSHRNPSR1ALDH1A1TAS1R3

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-4308563-A1 MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) Pfizer Inc. (US) 2024-01-24 EP disclosed
CN-117321055-A Modulators of STING (interferon gene stimulators) 辉瑞公司 2023-12-29 CN disclosed
WO-2022195462-A1 MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER INC. (US) 2022-09-22 WO disclosed