SCHEMBL28752006

SCHEMBL28752006

CC(C)(C)[Si](C)(C)OCCCOc1cc(C(N)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.46
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
PARP1 P09874 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL29686658 1.00 PRSS1 (0.46) PRSS1AKR1C3AKR1C2AKR1C1PARP1
SCHEMBL19436449 0.86 PRSS1 (0.40) PRSS1PARP1LMNASMN1; SMN2POLB
SCHEMBL29686241 0.86 PRSS1 (0.40) PRSS1PARP1LMNASMN1; SMN2POLB
SCHEMBL29686597 0.85 PRSS1 (0.40) PRSS1PARP1LMNASMN1; SMN2POLB
SCHEMBL28751945 0.85 PRSS1 (0.40) PRSS1PARP1LMNASMN1; SMN2POLB
SCHEMBL22937053 0.82 TSHR (0.42) PRSS1
SCHEMBL26814609 0.82 AR (0.51) AKR1C3AKR1C2AKR1C1SMN1; SMN2ALDH1A1
SCHEMBL21643778 0.81 SMN1; SMN2 (0.39) PRSS1SMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL20876413 0.80 MAPT (0.43) PRSS1LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL20876416 0.80 MAPT (0.43) PRSS1LMNASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585623-A Bis [ N- ((5-carbamoyl) -1H-benzo [ d ] imidazol-2-yl) pyrazole-5-carboxamide ] derivatives and related compounds as STING (interferon gene stimulator) agonists for the treatment of cancer 梅尔莎纳医疗公司 2022-06-03 CN disclosed