SCHEMBL8489668

SCHEMBL8489668

Cc1c(OCCCl)cccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
RECQL P46063 2/20 0.56
TDP1 Q9NUW8 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 2/20 0.50
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 7/20 0.48
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.42
KDM4E B2RXH2 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL26132980 0.86 RAB9A (0.57) NPC1RAB9ARECQLTDP1SMN1; SMN2
SCHEMBL10263950 0.84 NPC1 (0.56) NPC1RAB9ARECQLTDP1SMN1; SMN2
SCHEMBL310065 0.84 NPC1 (0.56) NPC1RAB9ARECQLTDP1SMN1; SMN2
SCHEMBL29905043 0.83 NPC1 (0.79) NPC1RAB9ARECQLTDP1SMN1; SMN2
SCHEMBL2057627 0.83 NPC1 (0.79) NPC1RAB9ARECQLTDP1SMN1; SMN2
SCHEMBL28436127 0.83 NPC1 (0.54) NPC1RAB9ARECQLTDP1SMN1; SMN2
SCHEMBL1141627 0.82 TDP1 (0.60) NPC1RAB9ARECQLTDP1SMN1; SMN2
SCHEMBL30072726 0.82 TDP1 (0.60) NPC1RAB9ARECQLTDP1SMN1; SMN2
SCHEMBL310951 0.82 KDM4E (0.55) NPC1RAB9ARECQLTDP1SMN1; SMN2
SCHEMBL9506168 0.82 NPC1 (0.53) NPC1RAB9ARECQLTDP1SMN1; SMN2

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
CN-1248246-A 4-aminoethoxyindazole derivatives AMERICAN HOME PROD (US) 2000-03-22 CN disclosed
EP-0960101-A1 4-AMINOETHOXYINDAZOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-01 EP disclosed
US-5872144-A DOPAMINERGIC AGENTS USEFUL IN THE TREATMENT OF SCHIZOPHRENIA, TOURETTE'S SYNDROME, DRUG AND ALCOHOL ADDICTION, AND ALSO USEFUL IN THE TREATMENT OF PARKINSON'S DISEASE. AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-16 US disclosed
WO-1998035942-A1 4-AMINOETHOXYINDAZOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO disclosed
WO-1998035943-A1 4-AMINOETHOXYINDAZOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO disclosed