SCHEMBL30995228

SCHEMBL30995228

CCOC(=O)c1cc2ccc(OC(F)F)cc2n1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 6/20 0.41
NOD1 Q9Y239 6/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
F10 P00742 3/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
GRK6 P43250 1/20 0.38
PIK3CA P42336 1/20 0.38
PRKDC P78527 1/20 0.38
HPGD P15428 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 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
SCHEMBL30995164 0.96 PIK3CA (0.41) NOD2NOD1MEN1KMT2AF10
SCHEMBL30995252 0.83 PLA2G10 (0.42) KDM4ESMN1; SMN2PLA2G10PLA2G2APIK3CA
SCHEMBL12490981 0.82 NOD2 (0.55) NOD2NOD1MEN1KMT2AF10
SCHEMBL30995187 0.79 NOD2 (0.49) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL30995156 0.79 PLA2G10 (0.43) MEN1KMT2AKDM4ESMN1; SMN2PLA2G10
SCHEMBL30995134 0.78 CYP11B2 (0.46) NOD2NOD1MEN1KMT2AF10
SCHEMBL30995157 0.77 NOD2 (0.53) NOD2NOD1MEN1KMT2AF10
SCHEMBL30995116 0.77 NOD2 (0.42) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL30995214 0.76 USP2 (0.43) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL15642774 0.74 NOD2 (0.50) NOD2NOD1MEN1KMT2AF10

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-118530160-A Aromatic heterocyclic compound, preparation method and application thereof 上海翊石医药科技有限公司 2024-08-23 CN disclosed