SCHEMBL24136180

SCHEMBL24136180

O=C(O)c1nc(-c2ccc(I)cc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 6/20 0.50
RAB9A P51151 6/20 0.47
HTT P42858 3/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 4/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NR1H4 Q96RI1 1/20 0.44
LTA4H P09960 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
PTPRF P10586 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL4413970 0.84 KDM4E (0.70) KDM4EALDH1A1RAB9AHTTPOLB
SCHEMBL167820 0.84 RAB9A (0.58) KDM4EALDH1A1RAB9AHTTPOLB
SCHEMBL27604873 0.83 KDM4E (0.58) KDM4EALDH1A1RAB9AHTTPOLB
SCHEMBL9829142 0.83 RAB9A (0.55) KDM4EALDH1A1RAB9AHTTPOLB
SCHEMBL3934931 0.83 ALDH1A1 (0.56) KDM4EALDH1A1RAB9AHTTGAA
SCHEMBL31401011 0.83 LMNA (0.55) KDM4EALDH1A1RAB9AHTTPOLB
SCHEMBL3613493 0.83 RAB9A (0.63) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5734275 0.82 KDM4E (0.51) KDM4EALDH1A1RAB9AHTTPOLB
Hydrochloric Acid SCHEMBL3613004 0.81 RAB9A (0.61) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5048867 0.79 ECE1 (0.42) KDM4EALDH1A1RAB9AHTTPOLB

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
EP-3928836-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-12-29 EP disclosed