SCHEMBL28829995

SCHEMBL28829995

CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1.[Ir]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.64
PIK3CB P42338 1/20 0.64
CYP19A1 P11511 4/20 0.62
MAPT P10636 11/20 0.61
LMNA P02545 6/20 0.61
MEN1 O00255 5/20 0.61
HTT P42858 5/20 0.61
KMT2A Q03164 5/20 0.61
NPC1 O15118 4/20 0.61
ATM Q13315 3/20 0.61
USP2 O75604 3/20 0.61
RAB9A P51151 3/20 0.61
CASP1 P29466 2/20 0.61
CASP7 P55210 2/20 0.61
HBB P68871 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
TP53 P04637 1/20 0.61
POLB P06746 1/20 0.61
BRCA1 P38398 1/20 0.61
PTK2B Q14289 1/20 0.61

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
SCHEMBL29362764 0.99 PIK3CD (0.65) PIK3CDPIK3CBCYP19A1MAPTLMNA
SCHEMBL5002101 0.99 PIK3CD (0.65) PIK3CDPIK3CBCYP19A1MAPTLMNA
SCHEMBL29360600 0.99 PIK3CD (0.65) PIK3CDPIK3CBCYP19A1MAPTLMNA
SCHEMBL38421 0.99 PIK3CD (0.65) PIK3CDPIK3CBCYP19A1MAPTLMNA
SCHEMBL29891568 0.98 PIK3CD (0.64) PIK3CDPIK3CBCYP19A1MAPTLMNA
SCHEMBL29583545 0.98 PIK3CD (0.64) PIK3CDPIK3CBCYP19A1MAPTLMNA
Coumarin SCHEMBL7203261 0.91 PIK3CD (0.57) PIK3CDPIK3CBCYP19A1MAPTLMNA
SCHEMBL1133687 0.91 PIK3CD (0.58) PIK3CDPIK3CBCYP19A1MAPTLMNA
SCHEMBL29696056 0.91 PIK3CD (0.58) PIK3CDPIK3CBCYP19A1MAPTLMNA
SCHEMBL12762289 0.90 PIK3CD (0.56) PIK3CDPIK3CBCYP19A1MAPTLMNA

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-114981205-A Pristine graphene-based biosensors for biomarker detection and related core particles, material composition methods and systems 鹰眼生物有限公司 2022-08-30 CN disclosed