SCHEMBL9614221

SCHEMBL9614221

Cc1cccc(C)c1N(COC(C)C)C(=O)CCl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
TP53 P04637 7/20 0.59
TDP1 Q9NUW8 3/20 0.59
CYP3A4 P08684 1/20 0.59
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NR1I2 O75469 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
PAX8 Q06710 4/20 0.38
HTT P42858 3/20 0.38
JAK2 O60674 2/20 0.38
GPX4 P36969 1/20 0.36
RORC P51449 1/20 0.36
THRB P10828 1/20 0.36
GLA P06280 1/20 0.36
PLA2G1B P04054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8357455 0.91 TP53 (0.53) ALDH1A1TP53TDP1CYP3A4MEN1
SCHEMBL29349823 0.91 TP53 (0.74) ALDH1A1TP53TDP1CYP3A4MEN1
SCHEMBL65705 0.91 TP53 (0.74) ALDH1A1TP53TDP1CYP3A4MEN1
SCHEMBL10789800 0.87 TP53 (0.59) ALDH1A1TP53TDP1CYP3A4MEN1
SCHEMBL9292633 0.87 ALDH1A1 (0.50) ALDH1A1TP53TDP1CYP3A4MEN1
SCHEMBL11795171 0.87 TP53 (0.44) ALDH1A1TP53TDP1CYP3A4MEN1
SCHEMBL10625773 0.86 ALDH1A1 (0.49) ALDH1A1TP53TDP1CYP3A4MEN1
SCHEMBL9215840 0.86 ALDH1A1 (0.50) ALDH1A1TP53TDP1CYP3A4MEN1
SCHEMBL9614344 0.85 TP53 (0.53) ALDH1A1TP53TDP1CYP3A4MEN1
SCHEMBL11381219 0.84 TDP1 (0.47) ALDH1A1TP53TDP1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4256481-A Selective herbicide compositions NITROKEMIA IPARTELEPEK (HU) 1981-03-17 US claimed
US-5155272-A Process for the production of haloacylamides MONSANTO COMPANY (US) 1992-10-13 US disclosed
EP-0096657-B1 2-PHENYL-2-NAPHTHYL AND 2-HETEROCYCLIC PYRIMIDINES AS ANTIDOTES FOR PROTECTING CULTURED PLANTS BEFORE PHYTOTOXIC DAMAGES CAUSED BY HERBICIDES CIBA-GEIGY AG (CH) 1989-04-05 EP disclosed
US-4698091-A 2-phenylpyrimidines, 2-naphthylpyrimidines and 2-heterocyclylpyrimidines as safeners for protecting cultivated plant against phytotoxic damage caused by herbicides CIBA-GEIGY CORPORATION (US) 1987-10-06 US disclosed
EP-0096657-A2 2-Phenyl-2-naphthyl and 2-heterocyclic pyrimidines as antidotes for protecting cultured plants before phytotoxic damages caused by herbicides CIBA-GEIGY AG (CH) 1983-12-21 EP disclosed
US-4373945-A Herbicidal agents based on acetanilides BASF AKTIENGESELLSCHAFT (DE) 1983-02-15 US disclosed
EP-0007575-B1 HERBICIDAL COMPOSITIONS BASED ON ACETANILIDES AND THEIR USE IN COMBATING UNDESIRED PLANT GROWTH BASF Aktiengesellschaft (DE) 1981-12-23 EP disclosed
US-4300945-A Synergistic herbicidal compositions STAUFFER CHEMICAL COMPANY (US) 1981-11-17 US disclosed
US-4256481-A Selective herbicide compositions NITROKEMIA IPARTELEPEK (HU) 1981-03-17 US disclosed
EP-0007575-A1 Herbicidal compositions based on acetanilides and their use in combating undesired plant growth BASF Aktiengesellschaft (DE) 1980-02-06 EP disclosed