SCHEMBL10898673

SCHEMBL10898673

CCc1ccccc1N(Cn1cncn1)C(=O)C(Cl)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP19A1 P11511 1/20 0.37
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSP90AA1 P07900 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL11248160 0.89 KMT2A (0.41) MAPTGAAMEN1KMT2ACYP19A1
SCHEMBL10984298 0.86 KMT2A (0.42) MAPTMEN1KMT2ACYP19A1USP2
SCHEMBL10985003 0.85 CYP1A2 (0.39) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL10900110 0.83 TSHR (0.38) MEN1KMT2ATSHRCACNA1GCACNA1H
Hydrochloric Acid SCHEMBL10896165 0.82 TSHR (0.37) MEN1KMT2ATSHRCACNA1GCACNA1H
SCHEMBL10987547 0.81 CYP1A2 (0.39) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL10985583 0.81 LMNA (0.35) MAPTGAATSHR
SCHEMBL10897351 0.81 LMNA (0.40) MAPTGAAMEN1KMT2ATSHR
SCHEMBL10992079 0.79 TBXAS1 (0.40) MAPTCYP19A1CYP1A2CYP3A4CYP2D6
SCHEMBL10989800 0.78 HPGD (0.33) GAATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4614537-A PLANT SAFENING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1986-09-30 US disclosed
US-4548639-A N-Acyl-piperidone ketal compounds and their use as antidotes for protecting crop plants from herbicidal damage BAYER AKTIENGESELLSCHAFT (DE) 1985-10-22 US disclosed
US-4422866-A N,N'-DISUBSTITUTED PIPERAZINES BAYER AKTIENGESELLSCHAFT (DE) 1983-12-27 US disclosed
US-4392882-A N-N-Bis(haloacyl)-diaza-cycloalkanes for protecting plants from herbicide damage BAYER AKTIENGESELLSCHAFT (DE) 1983-07-12 US disclosed
US-4391626-A PLANT SAFENING AGENTS FOR USE WITH THIOLCARBAMATES AND ACETANILIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-07-05 US disclosed
EP-0023287-B1 ANTIDOTE FOR THE PROTECTION OF CULTIVATED PLANTS AGAINST DAMAGE BY HERBICIDES BAYER AG (DE) 1983-02-09 EP disclosed
EP-0023308-B1 N-ACYL-PIPERIDONE CETALS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIDOTES IN THE PROTECTION OF CROP PLANTS AGAINST DAMAGE BY HERBICIDES BAYER AG (DE) 1982-12-22 EP disclosed
US-4312664-A N,N-DIALLYL-DICHLOROACETAMIDE BAYER AKTIENGESELLSCHAFT (DE) 1982-01-26 US disclosed
EP-0010163-B1 N-DIAZOLYLALKYL-CHLOROACETANILIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1982-01-06 EP disclosed
US-4294967-A HERBICIDE ANTIDOTES BAYER AKTIENGESELLSCHAFT (DE) 1981-10-13 US disclosed
EP-0008056-B1 N-SUBSTITUTED PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND N-HYDROXYALKYLPYRAZOLES OBTAINED IN THE COURSE OF THIS PROCESS BAYER AG (DE) 1981-09-16 EP disclosed
EP-0006541-A2 Use of N,N-diallyl-dichloroacetamide for improving the protection of crop plants against herbicidally active acetanilides BAYER AG (DE) 1980-01-09 EP disclosed