SCHEMBL9549747

SCHEMBL9549747

Cc1cc(C2(c3ccc(N)c(C)c3)c3ccccc3-c3c(C(=O)O)cccc32)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
MYC P01106 1/20 0.47
POLB P06746 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDK2 Q15119 5/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
OPRK1 P41145 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
MCL1 Q07820 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5968721 0.88 MYC (0.49) ESR1ESR2MYCPOLBALDH1A1
SCHEMBL31275905 0.86 ESR1 (0.66) ESR1ESR2MYCPOLBALDH1A1
SCHEMBL4657709 0.82 MEN1 (0.58) MYCPOLBALDH1A1MAPTLMNA
SCHEMBL31198543 0.82 MEN1 (0.58) MYCPOLBALDH1A1MAPTLMNA
SCHEMBL283244 0.80 ESR1 (0.65) ESR1ESR2POLBALDH1A1MAPT
SCHEMBL29579448 0.80 ESR1 (0.65) ESR1ESR2POLBALDH1A1MAPT
SCHEMBL29412612 0.80 ESR1 (0.65) ESR1ESR2POLBALDH1A1MAPT
SCHEMBL31276066 0.80 ESR1 (0.43) ESR1ESR2MYCPOLBALDH1A1
SCHEMBL9220275 0.78 HNF4A (0.45) ESR1ESR2MYCPOLBALDH1A1
SCHEMBL38651249 0.77 ESR1 (0.62) ESR1ESR2MYCPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5194338-A None JP disclosed
JP-H05194338-A 9,9-BIS@(3754/24)4-AMINOPHENYL)FLUORENECARBOXYLIC ACID NIPPON STEEL CORP 1993-08-03 JP disclosed