SCHEMBL25837113

SCHEMBL25837113

COc1cc(C(=O)NCCNC(C)=O)cc(C(=O)NCCNC(C)=O)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
GAA P10253 1/20 0.58
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MAPT P10636 1/20 0.56
RECQL P46063 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
MTNR1A P48039 3/20 0.51
MTNR1B P49286 3/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL8437113 0.89 KDM4E (0.71) KDM4EGAANPC1RAB9AMAPT
SCHEMBL10077314 0.84 MTNR1A (0.65) GAANPC1RAB9AMAPTMEN1
SCHEMBL25837115 0.82 RAB9A (0.50) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL6359507 0.81 KDM4E (0.65) KDM4EGAANPC1RAB9AMAPT
SCHEMBL89603 0.79 NPC1 (0.59) KDM4EGAANPC1RAB9AMAPT
SCHEMBL6360338 0.78 MAPT (0.67) KDM4EGAANPC1RAB9AMAPT
SCHEMBL10480836 0.77 KDM4E (0.56) KDM4EGAAMAPTSMN1; SMN2MTNR1A
SCHEMBL24590212 0.77 MAPT (0.65) KDM4EGAANPC1RAB9AMAPT
SCHEMBL7799270 0.77 KDM4E (0.69) KDM4EGAANPC1RAB9AMAPT
SCHEMBL31148962 0.76 CA1 (0.66) KDM4EGAANPC1RAB9AMAPT

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
WO-2023125806-A1 CONJUGATE FOR PREVENTING AND TREATING VIRAL INFECTIONS AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed