SCHEMBL9209097

SCHEMBL9209097

COCCN(C(=O)CCl)c1c(C)ccc(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.46
TP53 P04637 5/20 0.43
ALDH1A1 P00352 7/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 1/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
THRB P10828 1/20 0.39
TRPA1 O75762 1/20 0.37
AVPR2 P30518 1/20 0.36
OXTR P30559 1/20 0.36
POLB P06746 1/20 0.35
PTGS2 P35354 1/20 0.35
PAX8 Q06710 2/20 0.35
JAK2 O60674 1/20 0.35
GSTO1 P78417 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
SCHEMBL9214286 0.87 NR1I2 (0.54) NR1I2TP53ALDH1A1TDP1CYP3A4
Dimethachlor SCHEMBL67002 0.87 TP53 (0.53) NR1I2TP53ALDH1A1TDP1CYP3A4
Dimethachlor SCHEMBL8540169 0.87 TP53 (0.53) NR1I2TP53ALDH1A1TDP1CYP3A4
SCHEMBL11599043 0.85 NR1I2 (0.43) NR1I2TP53ALDH1A1TDP1CYP3A4
SCHEMBL9212997 0.83 TP53 (0.50) NR1I2TP53ALDH1A1TDP1CYP3A4
Dimethachlor SCHEMBL22534179 0.83 NR1I2 (0.56) NR1I2TP53ALDH1A1TDP1CYP3A4
SCHEMBL9208363 0.82 TP53 (0.49) NR1I2TP53ALDH1A1TDP1CYP3A4
SCHEMBL11876794 0.81 ALDH1A1 (0.46) NR1I2TP53ALDH1A1TDP1CYP3A4
SCHEMBL9210625 0.81 TP53 (0.68) NR1I2TP53ALDH1A1TDP1CYP3A4
SCHEMBL10667257 0.80 TP53 (0.45) NR1I2TP53ALDH1A1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434341-B1 Diazine derivatives ZENECA LTD (GB) 1995-05-17 EP claimed
EP-0357557-A2 Synergistic mixture CIBA-GEIGY AG (CH) 1990-03-07 EP claimed
EP-0236268-A1 Plant protection by means of N-halogenoacetyl isoquinolines against herbicidal halogen acetanilides CIBA-GEIGY AG (CH) 1987-09-09 EP claimed
EP-0378508-B1 Antidotes to modify the resistance of cultivated plants to agrochemical agents CIBA GEIGY AG (CH) 1995-03-01 EP disclosed
US-5175289-A Antidotes for protecting cultivated plants from the phytotoxic action of herbicides CIBA-GEIGY CORPORATION (US) 1992-12-29 US disclosed
US-5041157-A Protecting soybeans or cereals CIBA-GEIGY CORPORATION (US) 1991-08-20 US disclosed
EP-0378508-A2 Antidotes to modify the resistance of cultivated plants to agrochemical agents CIBA-GEIGY AG (CH) 1990-07-18 EP disclosed
EP-0357557-A2 Synergistic mixture CIBA-GEIGY AG (CH) 1990-03-07 EP disclosed
US-4897109-A ACYLAMINE DERIVATIVE CIBA-GEIGY CORPORATION (US) 1990-01-30 US disclosed
EP-0236268-A1 Plant protection by means of N-halogenoacetyl isoquinolines against herbicidal halogen acetanilides CIBA-GEIGY AG (CH) 1987-09-09 EP disclosed
US-4070179-A Plant growth regulation with N-(2-alkoxy-ethyl)-N-chloroacetyl-2,3,6-trimethyl-anilines CIBA-GEIGY CORPORATION (US) 1978-01-24 US disclosed