SCHEMBL9703390

SCHEMBL9703390

Cc1cccc(N(CCCl)CCCl)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
TRPA1 O75762 1/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 2/20 0.33
CRHR1 P34998 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
NR3C1 P04150 1/20 0.31

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
SCHEMBL10473100 0.91 MAPT (0.42) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6820422 0.83 MAPT (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL19732753 0.82 CRHR1 (0.46) ALDH1A1MEN1KMT2ALMNACRHR1
SCHEMBL380689 0.80 KMT2A (0.45) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL29788888 0.77 PIM1 (0.36) ALDH1A1MEN1KMT2ALMNATRPA1
SCHEMBL11053986 0.77 MAPT (0.42) MAPTALDH1A1TSHRTP53EGFR
SCHEMBL4300630 0.77 TRPA1 (0.39) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL28279552 0.76 ALDH1A1 (0.47) ALDH1A1MAPK1TP53CRHR1
SCHEMBL28278211 0.76 ALDH1A1 (0.47) ALDH1A1MAPK1TP53CRHR1
Hydrochloric Acid SCHEMBL10630985 0.75 ALDH1A1 (0.38) MAPTALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215200-B1 USE OF SULFANILAMIDO QUINOXALINES IN THE TREATMENT OF NEOPLASTIC DISEASES MERCK & CO. INC. (US) 1992-09-09 EP disclosed