SCHEMBL2423459

SCHEMBL2423459

Cc1[nH]c(OC(=O)O)c(C)c1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.55
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
POLB P06746 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ESR1 P03372 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CHEK2 O96017 3/20 0.42
METAP1 P53582 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
ABL1 P00519 2/20 0.40
FABP6 P51161 1/20 0.40
ABCC4 O15439 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL1800666 0.84 HPGDS (0.63) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1801541 0.82 HPGDS (0.53) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1799866 0.82 HPGDS (0.61) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1800987 0.81 HPGDS (0.57) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1802043 0.80 HPGDS (0.59) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1799020 0.80 HPGDS (0.69) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1799752 0.80 HPGDS (0.61) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1800622 0.79 HPGDS (0.68) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL28380 0.79 HPGDS (0.86) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1799754 0.78 ESR1 (0.49) HPGDSALDH1A1HPGDPOLBRAB9A

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-1911755-B1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO LTD (JP) 2011-09-14 EP claimed