SCHEMBL26375451

SCHEMBL26375451

CCCCc1c(C(=O)OCC)nnn1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
ALOX12 P18054 1/20 0.46
KMT2A Q03164 1/20 0.43
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP19A1 P11511 1/20 0.39
MAOB P27338 1/20 0.38
GAA P10253 1/20 0.38
MITF O75030 1/20 0.37

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
SCHEMBL1412553 0.80 TP53 (0.56) TP53ALOX12KMT2ATSHRMAPK1
SCHEMBL14511339 0.76 TSHR (0.49) TP53ALOX12KMT2ATSHRMAPK1
SCHEMBL31123993 0.74 TP53 (0.47) TP53ALOX12KMT2ATSHRMAPT
SCHEMBL1412510 0.73 SMN1; SMN2 (0.47) TP53ALOX12KMT2ATSHRMAPK1
SCHEMBL5280768 0.71 MAOB (0.46) TSHRMAPK1KDM4EALDH1A1MAOB
SCHEMBL1412657 0.71 TP53 (0.43) TP53ALOX12KMT2ATSHRMAPK1
SCHEMBL21228619 0.71 LMNA (0.46) TP53KMT2ATSHRMAPK1MAPT
SCHEMBL20143010 0.70 TP53 (0.56) TP53ALOX12KMT2ATSHRMAPK1
SCHEMBL1412525 0.70 KMT2A (0.46) TP53ALOX12KMT2ATSHRMAPK1
SCHEMBL14154666 0.69 KMT2A (0.40) KMT2ASMN1; SMN2KDM4EALDH1A1MAOB

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
EP-4252755-A2 THERAPEUTIC COMPOUNDS C4x Discovery Limited (GB) 2023-10-04 EP disclosed