SCHEMBL24401170

SCHEMBL24401170

CCC(=O)NCCC(=O)N1Cc2ccccc2C2=C(CC2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.50
MTNR1B P49286 8/20 0.50
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NOTUM Q6P988 2/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL21659932 0.84 TSHR (0.43) MTNR1AMTNR1BKDM4EKMT2ANPC1
SCHEMBL21602760 0.84 NOTUM (0.43) KDM4ENOTUMKMT2ANPC1RAB9A
SCHEMBL26502585 0.81 MTNR1A (0.45) MTNR1AMTNR1BKDM4EHTTSMN1; SMN2
SCHEMBL22295793 0.81 MAPT (0.44) NOTUMRAB9AMAPTHSD17B10TSHR
SCHEMBL20829938 0.80 TSHR (0.47) KDM4EHTTSMN1; SMN2NOTUMKMT2A
SCHEMBL25016070 0.79 NOTUM (0.58) KDM4EHTTSMN1; SMN2NOTUMKMT2A
SCHEMBL24455243 0.79 KDM4E (0.57) KDM4EHTTSMN1; SMN2NOTUMKMT2A
SCHEMBL23571722 0.79 MTNR1A (0.49) MTNR1AMTNR1BKDM4EHTTSMN1; SMN2
SCHEMBL25139324 0.79 KDM4E (0.59) KDM4EHTTSMN1; SMN2NOTUMKMT2A
SCHEMBL21659808 0.78 TSHR (0.42) MTNR1AMTNR1BKDM4EKMT2ANPC1

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-2022093793-A1 FOLATE RECEPTOR TARGETED NANOPARTICLE DRUG CONJUGATES AND USES THEREOF ELUCIDA ONCOLOGY, INC. (US) 2022-05-05 WO disclosed