SCHEMBL7550241

SCHEMBL7550241

Oc1cccc(NN2CCOCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
PKMYT1 Q99640 2/20 0.43
PIK3CA P42336 5/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
AKT1 P31749 1/20 0.42
HTR7 P34969 1/20 0.40
GAA P10253 1/20 0.40
PIK3CD O00329 1/20 0.40
CYP1A2 P05177 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL28676055 0.79 ALDH1A1 (0.50) KMT2APIK3CAMAPTALDH1A1GAA
SCHEMBL10891076 0.79 POLB (0.54) CYP3A4TSHRMAPTALDH1A1GAA
SCHEMBL2406119 0.79 KMT2A (0.49) KMT2ACYP3A4PIK3CAMAPTALDH1A1
SCHEMBL11340048 0.78 GAA (0.54) KMT2AMAPTALDH1A1GAANPC1
SCHEMBL657883 0.77 MAPT (0.50) KMT2AMAPTALDH1A1GAANPC1
SCHEMBL12495214 0.76 LMNA (0.52) KMT2AMAPTALDH1A1GAANPC1
Bromide SCHEMBL7858764 0.76 MAPT (0.49) KMT2AMAPTALDH1A1GAANPC1
SCHEMBL28470521 0.76 SMN1; SMN2 (0.58) TSHRPIK3CAALDH1A1NPC1RAB9A
SCHEMBL15033571 0.74 NPC1 (0.70) KMT2ACYP3A4MAPTALDH1A1GAA
SCHEMBL8817450 0.70 CA1 (0.41) KMT2ATSHRMAPTALDH1A1GAA

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-2002044284-A1 TRISAZO DYES BASF AKTIENGESELLSCHAFT (DE) 2002-06-06 WO disclosed