SCHEMBL11260320

SCHEMBL11260320

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.52
TP53 P04637 5/20 0.52
TDP1 Q9NUW8 2/20 0.52
CYP3A4 P08684 1/20 0.52
RAB9A P51151 10/20 0.40
NPC1 O15118 7/20 0.40
PAX8 Q06710 5/20 0.40
HTT P42858 5/20 0.40
JAK2 O60674 3/20 0.40
NR1I2 O75469 1/20 0.40
KMT2A Q03164 5/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 4/20 0.39
GPX4 P36969 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.35
HKDC1 Q2TB90 1/20 0.35

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
SCHEMBL11264198 0.90 TP53 (0.67) ALDH1A1TP53TDP1CYP3A4RAB9A
SCHEMBL11865711 0.89 ALDH1A1 (0.49) ALDH1A1TP53TDP1CYP3A4RAB9A
SCHEMBL11258186 0.88 ALDH1A1 (0.49) ALDH1A1TP53TDP1CYP3A4RAB9A
SCHEMBL11867705 0.86 TP53 (0.50) ALDH1A1TP53TDP1CYP3A4RAB9A
SCHEMBL11869945 0.86 ALDH1A1 (0.42) ALDH1A1TP53TDP1CYP3A4RAB9A
SCHEMBL11265879 0.86 ALDH1A1 (0.51) ALDH1A1TP53TDP1CYP3A4RAB9A
SCHEMBL11871041 0.84 CYP3A4 (0.37) ALDH1A1TP53TDP1CYP3A4HTT
SCHEMBL11874254 0.83 ALDH1A1 (0.47) ALDH1A1TP53TDP1CYP3A4RAB9A
SCHEMBL9614333 0.83 ALDH1A1 (0.57) ALDH1A1TP53TDP1CYP3A4RAB9A
SCHEMBL11698654 0.83 TP53 (0.64) ALDH1A1TP53TDP1CYP3A4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4046554-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-09-06 US claimed
US-3983174-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-09-28 US claimed
US-3966811-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-06-29 US claimed
US-4326077-A HERBICIDE AND PLANT GROWTH REGULATOR CHEVRON RESEARCH COMPANY (US) 1982-04-20 US disclosed
US-4260410-A Herbicidal and plant-growth-regulating N-haloacetylphenylamino carbonyl oximes CHEVRON RESEARCH COMPANY (US) 1981-04-07 US disclosed
US-4174210-A Herbicidal and plant-growth regulating N-haloacetylphenylamino carbonyl oximes CHEVRON RESEARCH COMPANY (US) 1979-11-13 US disclosed
US-4046554-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-09-06 US disclosed
US-3983174-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-09-28 US disclosed
US-3966811-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-06-29 US disclosed