SCHEMBL11295679

SCHEMBL11295679

Nc1ccc(CCS)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
POLB P06746 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRB2 P07550 1/20 0.40
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL7948996 0.92 TDP1 (0.51) TDP1MAPTMEN1POLBKMT2A
SCHEMBL12798874 0.91 TDP1 (0.62) TDP1MAPTMEN1POLBKMT2A
SCHEMBL11292592 0.87 TDP1 (0.58) TDP1MAPTMEN1POLBKMT2A
SCHEMBL992165 0.86 TDP1 (0.61) TDP1MAPTMEN1POLBKMT2A
SCHEMBL5952783 0.84 TSHR (0.56) TDP1MAPTMEN1POLBKMT2A
SCHEMBL4719966 0.84 TSHR (0.58) TDP1MAPTMEN1POLBKMT2A
SCHEMBL27947665 0.84 TDP1 (0.55) TDP1MAPTMEN1POLBKMT2A
SCHEMBL2929031 0.83 TDP1 (0.62) TDP1MAPTMEN1POLBKMT2A
SCHEMBL30989211 0.83 TDP1 (0.62) TDP1MAPTMEN1POLBKMT2A
SCHEMBL11079242 0.81 TDP1 (0.60) TDP1MAPTMEN1POLBKMT2A

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
EP-0004606-B1 PROCESS FOR PREPARING ANILINE COMPOUNDS ETHYL CORPORATION (US) 1982-03-10 EP disclosed
US-4186147-A DISPLACEMENT OF THIOCYANOANILINE WITH AN ALCOHOL TO FORM THIOALKYL ANILINE ETHYL CORPORATION (US) 1980-01-29 US disclosed
EP-0004606-A2 Process for preparing aniline compounds ETHYL CORPORATION (US) 1979-10-17 EP disclosed