SCHEMBL10180858

SCHEMBL10180858

Cn1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc2cc(Oc3ccc(NCc4ccc(Cl)c(Cl)c4)cn3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 4/20 0.45
CYP3A4 P08684 2/20 0.45
ABCB11 O95342 1/20 0.45
CYP1A2 P05177 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
Bromide SCHEMBL3060756 0.99 MEN1 (0.47) MEN1KMT2AUSP2HPGDLMNA
SCHEMBL3064146 0.90 HPGD (0.51) MEN1KMT2AUSP2HPGDLMNA
Bromide SCHEMBL3062614 0.89 STAT3 (0.46) STAT3
Bromide SCHEMBL3067318 0.89 MEN1 (0.51) MEN1KMT2AUSP2HPGDLMNA
SCHEMBL3065452 0.88 HPGD (0.52) MEN1KMT2AUSP2HPGDLMNA
Hydrochloric Acid SCHEMBL3069882 0.88 ALDH1A1 (0.47) MEN1KMT2AUSP2HPGDLMNA
SCHEMBL10180854 0.87 MEN1 (0.49) MEN1KMT2AUSP2HPGDLMNA
SCHEMBL3051195 0.87 USP2 (0.45) MEN1KMT2AUSP2HPGDLMNA
Bromide SCHEMBL3060750 0.86 MEN1 (0.48) MEN1KMT2AUSP2HPGDLMNA
Hydrochloric Acid SCHEMBL3055581 0.86 USP2 (0.45) MEN1KMT2AUSP2HPGDLMNA

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-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed