SCHEMBL20247451

SCHEMBL20247451

Cc1ccc2[nH]c3c(C)cccc3c(=O)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
POLB P06746 2/20 0.66
NPC1 O15118 2/20 0.66
ABCB1 P08183 1/20 0.60
KIF11 P52732 1/20 0.54
HSD17B10 Q99714 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 5/20 0.47
STING1 Q86WV6 1/20 0.47
KDM4E B2RXH2 6/20 0.47
HPGD P15428 5/20 0.47
LMNA P02545 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
CHEK1 O14757 1/20 0.46

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
SCHEMBL13560649 0.86 KIF11 (0.56) MEN1KMT2APOLBNPC1ABCB1
SCHEMBL13267003 0.86 KIF11 (0.67) MEN1KMT2APOLBNPC1ABCB1
SCHEMBL29726988 0.86 KIF11 (0.67) MEN1KMT2APOLBNPC1ABCB1
SCHEMBL12086512 0.84 KIF11 (0.51) MEN1KMT2APOLBNPC1ABCB1
SCHEMBL14116119 0.83 KIF11 (0.72) MEN1KMT2APOLBNPC1ABCB1
SCHEMBL13412884 0.81 MEN1 (0.65) MEN1KMT2APOLBNPC1ABCB1
SCHEMBL13933160 0.80 NPC1 (0.81) MEN1KMT2APOLBNPC1KIF11
SCHEMBL17616019 0.80 MEN1 (1.00) MEN1KMT2APOLBNPC1ABCB1
SCHEMBL21563915 0.78 MEN1 (0.61) MEN1KMT2APOLBNPC1ABCB1
SCHEMBL276094 0.77 NPC1 (0.76) MEN1KMT2APOLBNPC1KIF11

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-2252605-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INST NAT SANTE RECH MED (FR) 2018-06-13 EP disclosed