SCHEMBL17066129

SCHEMBL17066129

CC(C)c1cccc2nc3cc(I)ccc3nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
THRB P10828 2/20 0.40
BLM P54132 2/20 0.40
CASP6 P55212 1/20 0.40
LMNA P02545 3/20 0.38
NQO2 P16083 10/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ATM Q13315 2/20 0.37
NPC1 O15118 4/20 0.36
G6PD P11413 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM1A O60341 1/20 0.35

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
SCHEMBL9953356 0.84 RAB9A (0.42) RAB9AKMT2AMAPTPOLBALDH1A1
SCHEMBL13426064 0.79 NQO2 (0.47) RAB9AKMT2AMAPTPOLBALDH1A1
SCHEMBL24276928 0.78 MAPT (0.41) RAB9AKMT2AMAPTPOLBALDH1A1
SCHEMBL1667048 0.73 APP (0.37) KMT2AMAPTPOLBMEN1NQO2
SCHEMBL2035725 0.73 APP (0.37) KMT2AMAPTPOLBMEN1NQO2
SCHEMBL31447451 0.68 NQO2 (0.42) RAB9AKMT2AMAPTPOLBALDH1A1
SCHEMBL20915022 0.68 NQO2 (0.42) RAB9AKMT2AMAPTPOLBALDH1A1
SCHEMBL1186316 0.68 HPGD (0.50) RAB9AKMT2AMAPTPOLBALDH1A1
SCHEMBL19213935 0.67 NQO2 (0.55) RAB9AKMT2AMAPTALDH1A1MEN1
SCHEMBL12386879 0.67 TSHR (0.48) RAB9AKMT2AMAPTALDH1A1THRB

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
EP-2252605-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INST NAT SANTE RECH MED (FR) 2018-06-13 EP disclosed
US-9125937-B2 Labelled analogues of halobenzamides as multimodal radiopharmaceuticals and their precursors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2015-09-08 US disclosed