SCHEMBL20125085

SCHEMBL20125085

Cc1ccc(N2CCC(N(C)C)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
FFAR2 O15552 1/20 0.49
CTPS1 P17812 1/20 0.49
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK1 P28482 3/20 0.47
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL29749170 1.00 MAPT (0.50) MAPTALDH1A1MEN1KMT2AFFAR2
SCHEMBL30776020 0.85 MAPT (0.49) MAPTALDH1A1MEN1KMT2ACTPS1
SCHEMBL2976966 0.83 MAPT (0.73) MAPTALDH1A1MEN1KMT2AFFAR2
SCHEMBL29748739 0.83 MAPT (0.73) MAPTALDH1A1MEN1KMT2AFFAR2
SCHEMBL15828726 0.83 MAPT (0.59) MAPTALDH1A1MEN1KMT2AFFAR2
SCHEMBL14754094 0.83 MAPT (0.48) MAPTALDH1A1MEN1KMT2ACTPS1
SCHEMBL28799327 0.82 MAPT (0.55) MAPTALDH1A1MEN1KMT2ACTPS1
SCHEMBL28799318 0.82 KMT2A (0.56) MAPTALDH1A1MEN1KMT2ACTPS1
SCHEMBL2039778 0.80 TDP1 (0.74) MAPTALDH1A1MEN1KMT2AFFAR2
SCHEMBL29788065 0.80 TDP1 (0.74) MAPTALDH1A1MEN1KMT2AFFAR2

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
CN-108069937-B Phenyl piperidine derivatives, methods of use and uses thereof 广东东阳光药业有限公司 2022-07-26 CN disclosed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed