SCHEMBL28567909

SCHEMBL28567909

C=C(c1ccccc1)c1ccccc1.c1cnc(-c2ncccn2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
P4HTM Q9NXG6 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
TP53 P04637 1/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

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
Dipyridyl SCHEMBL28995270 0.86 KDM4E (0.64) KMT2AMEN1TDP1KDM4ELMNA
SCHEMBL26736 0.84 MEN1 (0.61) KMT2AMEN1TDP1KDM4ELMNA
SCHEMBL7930063 0.84 MEN1 (0.61) KMT2AMEN1TDP1KDM4ELMNA
SCHEMBL3844822 0.84 MEN1 (0.61) KMT2AMEN1TDP1KDM4ELMNA
Benzene SCHEMBL9731493 0.84 MEN1 (0.61) KMT2AMEN1TDP1KDM4ELMNA
Benzene SCHEMBL28340939 0.84 MEN1 (0.61) KMT2AMEN1TDP1KDM4ELMNA
Pyrazine SCHEMBL27427242 0.82 MEN1 (0.50) KMT2AMEN1CYP1A2HIF1AMAPT
SCHEMBL29139781 0.81 MEN1 (0.54) KMT2AMEN1TDP1LMNAPOLB
SCHEMBL27776729 0.81 KMT2A (0.45) KMT2AMEN1LMNACYP1A2HIF1A
SCHEMBL894135 0.81 MEN1 (0.65) KMT2AMEN1TDP1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107602486-B Dipyrimidyl diphenylethylene fluorescent whitening agent and preparation method and application thereof 贺州学院 2021-05-25 CN claimed
CN-107602486-B Dipyrimidyl diphenylethylene fluorescent whitening agent and preparation method and application thereof 贺州学院 2021-05-25 CN disclosed
CN-107602486-B Dipyrimidyl diphenylethylene fluorescent whitening agent and preparation method and application thereof 贺州学院 2021-05-25 CN disclosed