SCHEMBL11501927

SCHEMBL11501927

CN(CCCN(C(=N)N)C(=O)Nc1ccc(Cl)cc1)CCCN(C(=N)N)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.51
▸ PKM P14618 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ PTBP1 P26599 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL11501785 0.92 TSHR (0.54) TSHRPKMRAB9ATMEM97SIGMAR1
SCHEMBL11501626 0.89 TSHR (0.49) TSHRPKMRAB9ANPC1GAA
SCHEMBL11668286 0.89 TSHR (0.49) TSHRPKMRAB9ANPC1GAA
SCHEMBL11668321 0.89 TSHR (0.49) TSHRPKMRAB9ANPC1GAA
SCHEMBL11501940 0.81 CACNA1G (0.50) SIGMAR1HRH3TP53
SCHEMBL11668287 0.75 MEN1 (0.45) LMNAHPGDMEN1KMT2A
SCHEMBL11668317 0.75 ALDH1A1 (0.49) RAB9ANPC1GAAALDH1A1MAPT
SCHEMBL11668516 0.75 ALDH1A1 (0.45) TSHRLTA4HGAAALDH1A1MAPT
SCHEMBL13726874 0.75 NPC1 (0.43) TSHRRAB9ASIGMAR1NPC1GAA
SCHEMBL11668443 0.74 MEN1 (0.49) TSHRRAB9ANPC1GAAALDH1A1

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-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 — — US claimed
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