SCHEMBL9356341

SCHEMBL9356341

CCC(=O)Nc1cc(C)cc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
ACP1 P24666 1/20 0.48
ALDH1A1 P00352 2/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MITF O75030 1/20 0.46
XBP1 P17861 1/20 0.46
MAPK1 P28482 1/20 0.46
ALOX5 P09917 1/20 0.46
POLB P06746 3/20 0.45
GAA P10253 2/20 0.45
BCHE P06276 1/20 0.44

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
SCHEMBL11640367 0.90 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C9KMT2AMEN1
SCHEMBL15156475 0.83 TSHR (0.59) TSHRKMT2AMEN1LMNAMAPT
SCHEMBL15156473 0.83 TSHR (0.59) TSHRKMT2AMEN1LMNAMAPT
SCHEMBL9352334 0.82 SMN1; SMN2 (0.61) TSHRCYP3A4KMT2AMEN1ALDH1A1
SCHEMBL11858419 0.82 ALDH1A1 (0.53) TSHRCYP1A2CYP2C9KMT2AMEN1
SCHEMBL12240557 0.81 CYP3A4 (0.59) TSHRCYP1A2CYP3A4KMT2AALDH1A1
SCHEMBL5213509 0.78 CYP1A2 (0.78) CYP1A2CYP3A4CYP2C9KMT2AMEN1
SCHEMBL30957465 0.78 CYP1A2 (0.78) CYP1A2CYP3A4CYP2C9KMT2AMEN1
Hydrochloric Acid SCHEMBL27290577 0.77 CYP1A2 (0.76) CYP1A2CYP3A4CYP2C9KMT2AMEN1
SCHEMBL1706183 0.77 KMT2A (0.65) KMT2AMEN1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425345-B1 Keratinic fibres dyeing process with amino-indoles, composition and use devices OREAL (FR) 1994-09-14 EP disclosed
US-5254135-A Applying indole dye, developing with oxidizing system L'OREAL (FR) 1993-10-19 US disclosed
CN-1051669-A With the method for amino indole dyeing keratinous fibres, compositions and facilities and equipments OREAL (FR) 1991-05-29 CN disclosed
EP-0425345-A1 Keratinic fibres dyeing process with amino-indoles, composition and use devices L'OREAL (FR) 1991-05-02 EP disclosed