SCHEMBL16148367

SCHEMBL16148367

O=C(Nc1ccc(I)cc1Cl)c1ccccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 3/20 0.60
LMNA P02545 5/20 0.58
NPC1 O15118 4/20 0.58
HTT P42858 4/20 0.58
TP53 P04637 3/20 0.58
GAA P10253 1/20 0.58
RAB9A P51151 5/20 0.55
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 4/20 0.53
MAPK1 P28482 1/20 0.53
FADS1 O60427 1/20 0.52
TSHR P16473 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL24481190 0.84 KCNMA1 (0.68) KCNMA1LMNANPC1HTTTP53
SCHEMBL17413293 0.83 KCNMA1 (0.65) KCNMA1LMNANPC1HTTTP53
SCHEMBL2701801 0.82 HPGD (0.77) KCNMA1LMNANPC1HTTTP53
SCHEMBL20415511 0.80 KCNMA1 (0.66) KCNMA1LMNANPC1HTTTP53
SCHEMBL29936061 0.79 KCNMA1 (0.78) KCNMA1LMNANPC1HTTTP53
SCHEMBL4264455 0.79 KCNMA1 (0.78) KCNMA1LMNANPC1HTTTP53
SCHEMBL16147168 0.78 P2RX1 (0.51) KCNMA1LMNANPC1HTTTP53
SCHEMBL23847728 0.78 KCNMA1 (0.52) KCNMA1LMNANPC1HTTTP53
SCHEMBL11692515 0.78 KCNMA1 (0.58) KCNMA1LMNANPC1HTTTP53
SCHEMBL16148191 0.77 PYGL (0.51) KCNMA1LMNANPC1HTTTP53

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-2014165816-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY (US) 2014-10-09 WO disclosed