SCHEMBL6745457

SCHEMBL6745457

CCn1c(=O)[nH]c2cc(N)c(O)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
LMNA P02545 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PGR P06401 1/20 0.44
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
SRC P12931 2/20 0.41
MAOB P27338 3/20 0.40
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6799574 0.87 CYP1A2 (0.65) CYP1A2KMT2AMEN1LMNACYP3A4
SCHEMBL6740365 0.76 MEN1 (0.51) CYP1A2KMT2AMEN1LMNACYP3A4
SCHEMBL6904350 0.75 CYP1A2 (0.67) CYP1A2KMT2AMEN1LMNACYP3A4
SCHEMBL1640150 0.74 KMT2A (0.61) CYP1A2KMT2AMEN1LMNACYP3A4
SCHEMBL26040453 0.74 KMT2A (0.60) CYP1A2KMT2AMEN1LMNACYP3A4
SCHEMBL7063351 0.73 CYP1A2 (0.65) CYP1A2KMT2AMEN1LMNACYP3A4
SCHEMBL612079 0.73 CYP1A2 (1.00) CYP1A2KMT2AMEN1LMNACYP3A4
SCHEMBL29701185 0.73 CYP1A2 (1.00) CYP1A2KMT2AMEN1LMNACYP3A4
SCHEMBL6909295 0.73 CYP1A2 (0.65) CYP1A2KMT2AMEN1LMNACYP3A4
SCHEMBL19600866 0.70 CYP1A2 (0.59) CYP1A2KMT2AMEN1LMNACYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040107518-A1 Hetero-anellated ortho-aminophenols and their use as dye components CLARIANT FINANCE (BVI) LIMITED (BR) 2004-06-10 US disclosed
EP-1335905-A1 HETERO-ANELLATED ORTHO-AMINOPHENOLS AND THEIR USE AS DYE COMPONENTS Clariant International Ltd. (CH) 2003-08-20 EP disclosed
WO-2002038549-A1 HETERO-ANELLATED ORTHO-AMINOPHENOLS AND THEIR USE AS DYE COMPONENTS CLARIANT FINANCE (BVI) LTD. (GB) 2002-05-16 WO disclosed