SCHEMBL30536652

SCHEMBL30536652

CCOC(=O)CCCn1c(CC#N)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
PTGDR2 Q9Y5Y4 4/20 0.52
CTNNB1 P35222 1/20 0.51
HSD17B10 Q99714 2/20 0.49
TNF P01375 1/20 0.49
HPGD P15428 2/20 0.48
FAAH O00519 2/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL25400141 1.00 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2ARXFP1
SCHEMBL22965246 0.85 PTGDR2 (0.54) KDM4EALDH1A1PTGDR2CTNNB1HSD17B10
SCHEMBL22965231 0.84 TSHR (0.59) KDM4EPTGDR2CTNNB1HSD17B10TNF
SCHEMBL16421862 0.82 GAA (0.59) KDM4EALDH1A1PTGDR2CTNNB1HSD17B10
SCHEMBL7745965 0.82 SMN1; SMN2 (0.58) KDM4EALDH1A1MEN1KMT2APTGDR2
SCHEMBL7741979 0.81 FAAH (0.56) KDM4EALDH1A1PTGDR2HSD17B10HPGD
SCHEMBL22965154 0.79 KDM4E (0.62) KDM4EALDH1A1PTGDR2CTNNB1HSD17B10
SCHEMBL22965212 0.79 PTGDR2 (0.59) KDM4EALDH1A1PTGDR2CTNNB1HSD17B10
SCHEMBL22965259 0.78 PTGDR2 (0.63) KDM4EALDH1A1PTGDR2CTNNB1HSD17B10
SCHEMBL14439688 0.78 POLB (0.56) KDM4EALDH1A1MEN1KMT2AHSD17B10

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
EP-4496854-A1 VIOLET EXCITABLE TANDEM DYES, AND METHODS FOR MAKING AND USING THE SAME Becton, Dickinson and Company (US) 2025-01-29 EP disclosed
WO-2023183152-A1 VIOLET EXCITABLE TANDEM DYES, AND METHODS FOR MAKING AND USING THE SAME BECTON, DICKINSON AND COMPANY (US) 2023-09-28 WO disclosed