SCHEMBL3144217

SCHEMBL3144217

Cc1c(C(c2ccc([N+](=O)[O-])cc2)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
ALDH1A1 P00352 5/20 0.66
GAA P10253 3/20 0.66
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
LMNA P02545 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
THRB P10828 1/20 0.60
HPGD P15428 1/20 0.60
BLM P54132 1/20 0.60
PPP1CA P62136 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ADORA3 P0DMS8 1/20 0.58
MAOB P27338 1/20 0.57
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL6720188 0.85 MEN1 (0.81) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL3162482 0.82 MEN1 (0.76) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL11313942 0.81 LMNA (0.81) MEN1KMT2AALDH1A1GAACYP1A2
SCHEMBL3157213 0.80 ALDH1A1 (1.00) MEN1KMT2AALDH1A1GAACYP1A2
SCHEMBL3152146 0.77 ALDH1A1 (0.76) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL6721026 0.76 GAA (0.77) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL3154952 0.75 MAOB (0.60) MEN1KMT2AALDH1A1GAACYP1A2
SCHEMBL11306629 0.75 LMNA (0.81) MEN1KMT2AALDH1A1GAACYP1A2
Propyphenazone SCHEMBL23393 0.75 LMNA (1.00) MEN1KMT2AALDH1A1GAACYP1A2
SCHEMBL11305593 0.74 GAA (0.81) MEN1KMT2AALDH1A1GAALMNA

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
EP-1437122-B1 Composition for dyeing keratinic fibers comprising diheteroarylmethane direct dye and dyeing process using this composition OREAL (FR) 2010-03-03 EP claimed
US-4315068-A CONTAINING A COBALT-AMMINE COMPLEX AND A DIOXIME OR A BISIMIDAZOLIN-3-ONE CHELATING AGENT; STABILITY; COLOR DILMS RICOH CO., LTD. (JP) 1982-02-09 US disclosed