SCHEMBL16299516

SCHEMBL16299516

O=C(Oc1ccc(Cl)cc1)Oc1ccc(I)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ELANE P08246 1/20 0.43
LIPE Q05469 4/20 0.42
HPGD P15428 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARA Q07869 1/20 0.40
HTT P42858 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL56865 0.89 KMT2A (0.50) KMT2AMEN1SMN1; SMN2ELANELIPE
SCHEMBL7866352 0.89 MEN1 (0.50) APPKMT2AMEN1ELANE
SCHEMBL1639316 0.83 KMT2A (0.46) KMT2AMEN1SMN1; SMN2ELANELIPE
SCHEMBL815429 0.81 TAAR1 (0.51) KMT2AMEN1SMN1; SMN2ELANEMAPT
SCHEMBL10339728 0.79 ELANE (0.66) KMT2AMEN1SMN1; SMN2ELANEHPGD
SCHEMBL6255843 0.79 PPARA (0.49) KMT2AMEN1SMN1; SMN2ELANELIPE
SCHEMBL10885797 0.79 LMNA (0.57) KMT2AMEN1SMN1; SMN2ELANEHPGD
SCHEMBL1598439 0.77 KMT2A (0.53) KMT2AMEN1SMN1; SMN2ELANELIPE
SCHEMBL6937289 0.77 KMT2A (0.48) APPKMT2AMEN1SMN1; SMN2ELANE
SCHEMBL8315899 0.76 TPMT (0.41) APP

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-1871375-B1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PTC THERAPEUTICS INC (US) 2012-02-29 EP disclosed