SCHEMBL29028452

SCHEMBL29028452

S=C(S)NN(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 7/20 0.53
NPSR1 Q6W5P4 2/20 0.53
GAA P10253 5/20 0.47
LMNA P02545 3/20 0.47
ALOX12 P18054 2/20 0.47
MAPT P10636 2/20 0.47
CRHBP P24387 1/20 0.47
HTT P42858 1/20 0.47
CRHR2 Q13324 1/20 0.47
HPGD P15428 2/20 0.45
GPR55 Q9Y2T6 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.41
FAAH O00519 1/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL3797066 0.77 KMT2A (0.59) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL29028454 0.76 KMT2A (0.57) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL2152542 0.74 KMT2A (0.66) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL353562 0.72 KMT2A (0.53) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL28407439 0.72 KMT2A (0.52) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL18305859 0.71 KMT2A (0.52) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL12305501 0.71 KMT2A (0.52) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL130399 0.69 ALDH1A1 (0.58) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL11046453 0.68 KDM4E (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL28355450 0.68 MGLL (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1GAA

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-115160467-A Preparation method and application of novel bio-based liquid modifier 东南大学 2022-10-11 CN disclosed