SCHEMBL9528958

SCHEMBL9528958

O=C(Cc1ccc(Cl)cc1)N1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
NPC1 O15118 3/20 0.70
RAB9A P51151 5/20 0.65
ALDH1A1 P00352 2/20 0.65
GAA P10253 1/20 0.65
HSD11B1 P28845 1/20 0.64
GFER P55789 1/20 0.63
ATM Q13315 1/20 0.63
ME2 P23368 1/20 0.61
ME1 P48163 1/20 0.61
ME3 Q16798 1/20 0.61
KMT2A Q03164 4/20 0.60
MEN1 O00255 1/20 0.60
POLB P06746 2/20 0.59
MAPT P10636 1/20 0.59
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56

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
SCHEMBL7430480 0.98 HPGD (0.67) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL26100265 0.87 HPGD (0.55) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4671683 0.84 GFER (0.61) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2236040 0.84 SMN1; SMN2 (0.72) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2240974 0.84 SMN1; SMN2 (0.72) HPGDSMN1; SMN2NPC1ALDH1A1GAA
SCHEMBL22217034 0.84 SMN1; SMN2 (0.67) HPGDSMN1; SMN2NPC1ALDH1A1GFER
SCHEMBL24352145 0.83 KMT2A (0.72) NPC1RAB9AALDH1A1GFERATM
SCHEMBL15134817 0.83 MAPT (0.68) HPGDSMN1; SMN2GAAHSD11B1GFER
SCHEMBL654067 0.83 GFER (0.60) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL26134296 0.83 CHRM1 (0.67) NPC1RAB9AALDH1A1HSD11B1KMT2A

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