SCHEMBL5694574

SCHEMBL5694574

CN(C)c1ccc(Nc2ccc([AsH2])cc2[N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
NPSR1 Q6W5P4 1/20 0.53
AKR1C3 P42330 5/20 0.50
AKR1C2 P52895 5/20 0.50
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 1/20 0.42
ALDH3A1 P30838 1/20 0.42
POLB P06746 1/20 0.42
HCAR3 P49019 2/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
CDC25B P30305 1/20 0.41
PTGS2 P35354 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
SCHEMBL109591 0.86 MAPT (0.53) MAPTNPSR1AKR1C3AKR1C2MEN1
SCHEMBL297769 0.76 MAPT (0.60) MAPTNPSR1MEN1KMT2AHPGD
SCHEMBL31338514 0.76 MAPT (0.60) MAPTNPSR1MEN1KMT2AHPGD
SCHEMBL16634718 0.74 MAPT (0.56) MAPTNPSR1MEN1KMT2AHPGD
SCHEMBL16634720 0.74 MAPT (0.56) MAPTNPSR1MEN1KMT2AHPGD
SCHEMBL1371283 0.73 MAPT (0.57) MAPTNPSR1HCAR3ALDH1A1SMN1; SMN2
SCHEMBL980549 0.72 MAPT (0.78) MAPTNPSR1KMT2AALDH3A1HCAR3
SCHEMBL980547 0.72 MAPT (0.78) MAPTNPSR1KMT2AALDH3A1HCAR3
Hydrochloric Acid SCHEMBL1890620 0.72 MAPT (0.56) MAPTNPSR1HCAR3ALDH1A1SMN1; SMN2
SCHEMBL10623543 0.70 KMT2A (0.64) MAPTAKR1C3AKR1C2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016016148-A1 PERMANENT HAIR COLORANTS BASED ON A CREAM-LIKE CARRIER AND A COMBINATION OF TRIS(HYDROXYMETHYL)AMINOMETHANE, AT LEAST AN AMINO ACID AND AN OXIDATIVE DYE HCT - HAIR COSMETIC TECHNOLOGY AG (CH) 2016-02-04 WO disclosed
EP-1660022-A2 AGENT FOR COLOURING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2006-05-31 EP disclosed
WO-2005032502-A2 AGENT FOR COLOURING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2005-04-14 WO disclosed