SCHEMBL31337484

SCHEMBL31337484

BrCCCCN1c2ccccc2C2(c3ccccc3Oc3ccccc32)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PIM1 P11309 2/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
ALPL P05186 2/20 0.34
SCN9A Q15858 4/20 0.33
HDAC3 O15379 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33

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
SCHEMBL31147117 0.83 CYP1A2 (0.42) KMT2ACYP1A2CYP2D6PIM1LMNA
SCHEMBL13308133 0.82 PIM1 (0.51) KMT2AMEN1TDP1PIM1SIGMAR1
SCHEMBL23174008 0.81 PIM1 (0.50) KMT2AMEN1TDP1PIM1SIGMAR1
SCHEMBL2240765 0.81 PIM1 (0.50) KMT2AMEN1TDP1PIM1SIGMAR1
SCHEMBL31337501 0.79 PIM1 (0.49) KMT2ACYP1A2CYP2D6PIM1LMNA
SCHEMBL31337320 0.78 CES1 (0.44) KMT2ACYP1A2CYP2D6LMNASMN1; SMN2
SCHEMBL23144877 0.77 SIGMAR1 (0.51) KMT2AMEN1TDP1PIM1SIGMAR1
SCHEMBL29025681 0.76 CYP2D6 (0.64) KMT2ACYP1A2CYP2D6MEN1TDP1
SCHEMBL31337518 0.76 KMT2A (0.39) KMT2ACYP1A2CYP2D6MEN1LMNA
SCHEMBL19660995 0.74 MAPT (0.41) KMT2AMEN1LMNASMN1; SMN2KDM4E

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-119552191-A Spirocyclic aromatic hydrocarbon phosphonic acid derivative containing crisscross structure, preparation method and application thereof in photoelectric device 浙江省白马湖实验室有限公司 2025-03-04 CN disclosed