SCHEMBL31301322

SCHEMBL31301322

Cc1cccc(C(=O)NCCNC(=O)c2cccc(C)c2N)c1N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HPGD P15428 8/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.48
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
HCRTR1 O43613 1/20 0.46
HDAC3 O15379 1/20 0.46
MAPT P10636 1/20 0.46
ALOX5 P09917 1/20 0.45

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
SCHEMBL31301265 0.93 HPGD (0.55) MEN1KMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL23020285 0.92 HPGD (0.50) MEN1KMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL6605121 0.92 TSHR (0.51) MEN1KMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL13972667 0.88 HPGD (0.49) MEN1KMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL14691000 0.86 KCNA5 (0.46) MEN1KMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL2062239 0.83 HPGD (0.46) MEN1KMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL7480387 0.82 HPGD (0.44) MEN1KMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL635088 0.81 PLK1 (0.50) HPGDSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL31038153 0.81 PLK1 (0.50) HPGDSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL7322497 0.81 HDAC8 (0.47) HPGDSMN1; SMN2KDM4EALDH1A1NPC1

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
CN-119390254-A Composite seed crystal for treating high-calcium low-magnesium wastewater, preparation method and core crystal granulation process 西安交通大学 2025-02-07 CN claimed
CN-119390254-A Composite seed crystal for treating high-calcium low-magnesium wastewater, preparation method and core crystal granulation process 西安交通大学 2025-02-07 CN disclosed