SCHEMBL28867665

SCHEMBL28867665

COCOc1ccc(F)cc1C#N

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.51
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
AR P10275 4/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
HPGD P15428 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
SCHEMBL29940793 1.00 XDH (0.51) XDHALDH1A1KDM4EUSP2AR
SCHEMBL13485290 0.83 AR (0.49) XDHALDH1A1ARFFAR1FFAR4
SCHEMBL2131318 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EUSP2ARSLC22A12
SCHEMBL23143199 0.80 XDH (0.51) XDHALDH1A1KDM4EUSP2AR
SCHEMBL30313000 0.80 NPC1 (0.57) XDHALDH1A1KDM4EUSP2AR
SCHEMBL3578378 0.80 XDH (0.51) XDHALDH1A1KDM4EUSP2AR
SCHEMBL30313130 0.80 XDH (0.48) XDHALDH1A1AR
SCHEMBL18587828 0.79 GAA (0.51) XDHALDH1A1KDM4EUSP2MAOA
SCHEMBL29530857 0.79 GAA (0.51) XDHALDH1A1KDM4EUSP2MAOA
SCHEMBL12239457 0.79 ALDH1A1 (0.56) XDHALDH1A1ARHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557929-A Somatostatin modulators and uses thereof 克林提克斯医药股份有限公司 2023-01-03 CN disclosed
CN-109715612-B Somatostatin modulators and uses thereof 克林提克斯医药股份有限公司 2022-09-16 CN disclosed