SCHEMBL8571349

SCHEMBL8571349

CCCCCCS(=O)(=O)NN1CCNCC1Cc1ccc(-c2ccc(Cl)cc2)cc1.[KH]

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHIT1 Q13231 2/20 0.34
▸ CHIA Q9BZP6 2/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33
▸ SLC6A3 Q01959 4/20 0.32
▸ SLC6A2 P23975 3/20 0.32
▸ SLC6A4 P31645 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MLNR O43193 1/20 0.32
▸ MITF O75030 1/20 0.32

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
SCHEMBL8573952 0.99 CHIT1 (0.35) CHIT1CHIAPTPN1MAPKAPK2SLC6A3
SCHEMBL7775649 0.73 CA1 (0.38) CHIT1CHIASLC6A3SLC6A2SLC6A4
SCHEMBL7771962 0.72 CA1 (0.39) CHIT1CHIASLC6A3SLC6A2SLC6A4
SCHEMBL8697912 0.71 CHIT1 (0.38) CHIT1CHIASLC6A2SLC6A4LMNA
SCHEMBL5695787 0.68 CHIT1 (0.41) CHIT1CHIAMAPKAPK2SLC6A3SLC6A2
SCHEMBL8573956 0.68 MAPKAPK2 (0.39) MAPKAPK2MLNR
SCHEMBL5695790 0.67 TDP1 (0.45) CHIT1CHIASLC6A3SLC6A2SLC6A4
SCHEMBL28475644 0.66 SLC6A2 (0.47) CHIT1CHIASLC6A3SLC6A2SLC6A4
SCHEMBL27854291 0.65 TAAR1 (0.47) SLC6A3SLC6A2SLC6A4LMNAHTT
SCHEMBL5695792 0.64 TDP1 (0.47) CHIT1CHIASLC6A3SLC6A2SLC6A4

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
US-5716950-A NONTOXIC ANTIALLERGEN AND ANTIASTHMATIC HAVING LOW ANTIHISTAMINIC SIDE EFFECTS NIPPON SHOJI KABUSHIKI KAISHA (JP) 1998-02-10 — — US disclosed
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