SCHEMBL9529297

SCHEMBL9529297

S=C(Cc1ccc(Cl)cc1)N1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.71
FAAH O00519 3/20 0.71
MGLL Q99685 3/20 0.71
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
MAPT P10636 5/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54
KDM4E B2RXH2 1/20 0.52
HPGD P15428 4/20 0.49
GAA P10253 2/20 0.49
TDP1 Q9NUW8 1/20 0.46
HSD11B1 P28845 1/20 0.46
APOBEC3G Q9HC16 1/20 0.45

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
SCHEMBL4399380 0.83 ALDH1A1 (1.00) ALDH1A1FAAHMGLLLMNASMN1; SMN2
SCHEMBL9527348 0.82 TDP1 (0.56) ALDH1A1FAAHMGLLSMN1; SMN2NPC1
SCHEMBL9871967 0.81 FAAH (0.57) ALDH1A1FAAHMGLLSMN1; SMN2NPC1
SCHEMBL9528958 0.79 HPGD (0.70) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9528259 0.78 ALDH1A1 (0.49) ALDH1A1FAAHMGLLLMNASMN1; SMN2
SCHEMBL7430480 0.76 HPGD (0.67) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6444679 0.76 ALDH1A1 (0.83) ALDH1A1FAAHMGLLLMNAMAPT
SCHEMBL9528913 0.73 HRH3 (0.50) ALDH1A1FAAHMGLLNPC1RAB9A
SCHEMBL6265219 0.73 ALDH1A1 (0.68) ALDH1A1MGLLLMNASMN1; SMN2NPC1
SCHEMBL12692513 0.70 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252474-B1 HYDRAZINE DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1993-04-21 EP disclosed
EP-0525832-A1 Substituted 1,2,3- thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1993-02-03 EP disclosed
US-4916237-A Substituted 1,2,3-thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1990-04-10 US disclosed
US-4803280-A Substituted 1,2,3-thia-diazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1989-02-07 US disclosed
EP-0252474-A2 Hydrazine derivatives AMERICAN CYANAMID COMPANY (US) 1988-01-13 EP disclosed