SCHEMBL25975795

SCHEMBL25975795

COCCN1Cc2cc(C)ccc2C(F)(F)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 3/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC6A2 P23975 4/20 0.31
SLC6A4 P31645 4/20 0.31
SLC6A3 Q01959 4/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL26032155 0.83 AKR1C3 (0.33) MEN1KMT2ASIGMAR1ALDH1A1SLC6A2
SCHEMBL22993438 0.79 SLC6A2 (0.40) SMN1; SMN2ALDH1A1KDM4ESLC6A2SLC6A4
SCHEMBL17409800 0.79 POLB (0.42) POLBMEN1KMT2AATMSMN1; SMN2
SCHEMBL26032293 0.76 ALDH1A1 (0.32) MEN1KMT2AALDH1A1HSD17B10
SCHEMBL13102586 0.74 POLB (0.53) POLBMEN1KMT2AATMDRD2
SCHEMBL25975998 0.71 POLB (0.46) POLBMEN1KMT2AATMSMN1; SMN2
SCHEMBL25924943 0.71 ALDH1A1 (0.34) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL7657781 0.70 LMNA (0.32) KDM4EMAPT
SCHEMBL21377311 0.69 MAPT (0.36) POLBMEN1KMT2AATMSMN1; SMN2
SCHEMBL24478558 0.69 SLC6A2 (0.34) SMN1; SMN2ALDH1A1KDM4ESLC6A2SLC6A4

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
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed