SCHEMBL5389537

SCHEMBL5389537

Nc1ccc(C(=O)c2cccc([N+](=O)[O-])c2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 1/20 0.48
KDM4E B2RXH2 4/20 0.47
LMNA P02545 2/20 0.47
CDC25B P30305 2/20 0.47
MAPK1 P28482 1/20 0.47
GLA P06280 1/20 0.46
HPSE Q9Y251 1/20 0.45
POLB P06746 4/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TP53 P04637 1/20 0.42
BCL2L1 Q07817 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1C3 P42330 1/20 0.41
CTSD P07339 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL8399635 0.88 TDP1 (0.57) TDP1L3MBTL1TSHRKDM4ELMNA
SCHEMBL9251907 0.86 TDP1 (0.59) TDP1L3MBTL1TSHRKDM4ELMNA
SCHEMBL11670237 0.81 TSHR (0.60) TDP1L3MBTL1TSHRLMNAMAPK1
SCHEMBL304456 0.80 TDP1 (0.66) TDP1L3MBTL1TSHRKDM4ECDC25B
SCHEMBL29351965 0.80 TDP1 (0.66) TDP1L3MBTL1TSHRKDM4ECDC25B
SCHEMBL15869336 0.80 TDP1 (0.66) TDP1L3MBTL1TSHRKDM4ECDC25B
Aniline SCHEMBL28224929 0.79 MAPK1 (0.55) TDP1TSHRKDM4ELMNAMAPK1
SCHEMBL282685 0.79 TDP1 (0.60) TDP1L3MBTL1TSHRKDM4ELMNA
Ammonia Solution, Strong SCHEMBL5572312 0.78 TDP1 (0.64) TDP1L3MBTL1TSHRKDM4ECDC25B
Ammonia Solution, Strong SCHEMBL5572316 0.78 TDP1 (0.64) TDP1L3MBTL1TSHRKDM4ECDC25B

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
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 US claimed