SCHEMBL4657976

SCHEMBL4657976

CCNc1ccc(C(=O)O)cc1[N+](=O)[O-].Nc1ccc(Nc2ccccc2C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 8/20 0.66
MAPT P10636 4/20 0.58
AKR1C3 P42330 2/20 0.55
AKR1C2 P52895 2/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
POLB P06746 1/20 0.53
CDC25B P30305 1/20 0.50
FABP4 P15090 1/20 0.49
HPGD P15428 1/20 0.48

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
SCHEMBL29377063 0.86 AKR1C3 (0.67) HCAR3MAPTAKR1C3AKR1C2ALDH1A1
SCHEMBL23567 0.86 AKR1C3 (0.67) HCAR3MAPTAKR1C3AKR1C2ALDH1A1
SCHEMBL29785279 0.86 AKR1C3 (0.67) HCAR3MAPTAKR1C3AKR1C2ALDH1A1
SCHEMBL18667006 0.85 HCAR3 (0.72) HCAR3MAPTAKR1C3AKR1C2ALDH1A1
SCHEMBL27752504 0.82 AKR1C3 (0.49) HCAR3MAPTAKR1C3AKR1C2ALDH1A1
SCHEMBL24032 0.81 HCAR3 (1.00) HCAR3MAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL1602524 0.80 HCAR3 (0.97) HCAR3MAPTALDH1A1KMT2AMEN1
SCHEMBL2648507 0.79 AKR1C3 (0.81) HCAR3MAPTAKR1C3AKR1C2ALDH1A1
SCHEMBL2648512 0.79 AKR1C3 (0.81) HCAR3MAPTAKR1C3AKR1C2ALDH1A1
SCHEMBL2336839 0.78 HCAR3 (0.61) HCAR3MAPTALDH1A1KMT2AMEN1

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-1771226-B2 MULTICOMPONENT KIT AND METHOD FOR DYEING KERATIN FIBRES Wella GmbH (DE) 2016-03-09 EP disclosed
EP-1771226-B1 MULTICOMPONENT KIT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-10-08 EP disclosed