SCHEMBL30666337

SCHEMBL30666337

CCOC(=O)C(CC=O)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.57
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 4/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 3/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 2/20 0.40
PMP22 Q01453 1/20 0.39
ABCB11 O95342 1/20 0.39
ESR1 P03372 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL29119987 1.00 MEN1 (0.57) MEN1KMT2ASMN1; SMN2GAACYP2C19
SCHEMBL30416446 0.83 CYP2C19 (0.49) MEN1KMT2ASMN1; SMN2GAACYP2C19
SCHEMBL3935344 0.80 ALDH1A1 (0.45) MEN1KMT2ASMN1; SMN2GAACYP2C19
SCHEMBL1127424 0.80 MEN1 (0.57) MEN1KMT2ASMN1; SMN2GAACYP2C19
SCHEMBL11532666 0.80 MEN1 (0.57) MEN1KMT2ASMN1; SMN2GAACYP2C19
SCHEMBL13619600 0.80 MEN1 (0.57) MEN1KMT2ASMN1; SMN2GAACYP2C19
SCHEMBL29099538 0.79 MEN1 (0.56) MEN1KMT2ASMN1; SMN2GAACYP2C19
SCHEMBL1127868 0.79 MEN1 (0.59) MEN1KMT2ASMN1; SMN2GAACYP2C19
SCHEMBL1162993 0.79 SMN1; SMN2 (0.66) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL27103723 0.78 MEN1 (0.58) MEN1KMT2ASMN1; SMN2GAACYP2C19

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-117203194-A Novel compounds useful as STING agonists and uses thereof 北京加科思新药研发有限公司 2023-12-08 CN disclosed