SCHEMBL8010081

SCHEMBL8010081

Cc1oc(Cl)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
CRHR1 P34998 8/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DPP4 P27487 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL28921919 0.86 HSD11B1 (0.46) HSD11B1HSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL5538640 0.72 PTGS1 (0.53) NPC1RAB9ACYP1A2ALDH1A1SMN1; SMN2
SCHEMBL17596059 0.68 NPC1 (0.47) HSD11B1NPC1RAB9ACYP1A2CYP2C19
SCHEMBL7041005 0.68 HSD11B1 (0.45) HSD11B1HSP90AA1HSP90AB1CRHR1ALDH1A1
SCHEMBL6101031 0.68 CRHR1 (0.48) HSD11B1HSP90AA1HSP90AB1NPC1CRHR1
Bromide SCHEMBL9432958 0.68 HSD11B1 (0.45) HSD11B1HSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL6101843 0.68 CRHR1 (0.55) HSD11B1HSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL29098442 0.68 GUSB (0.51) HSD11B1HSP90AA1HSP90AB1CRHR1HPGD
SCHEMBL464507 0.67 AHR (0.64) HSD11B1HSP90AA1HSP90AB1RAB9ACRHR1
SCHEMBL29624840 0.67 AHR (0.64) HSD11B1HSP90AA1HSP90AB1RAB9ACRHR1

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
US-6057318-A ANTAGONISTS OF PLATELET ACTIVATING FACTOR ACETHER SANOFI (FR) 2000-05-02 US disclosed
US-5891893-A 5-AMINO-1,2,4-OXA(OR THIA)DIAZOLES; ANTAGONISTS OF PLATELET ACTIVATING FACTOR USEFUL IN TREATMENT OF ASTHMA, ALLERGIES, INFLAMMATION, CARDIOVASCULAR DISEASES, RENAL DISEASES, OR AS CONTRACEPTIVES SANOFI (FR) 1999-04-06 US disclosed
US-5891894-A 2-AMINO OXAZOLE DERIVATIVES; ANTAGONISTS OF PLATELET ACTIVATING FACTOR USEFUL IN TREATMENT OF ASTHMA, INFLAMMATION, CARDIOVASCULAR DISORDERS, RENAL DISEASES, OR AS CONTRACEPTIVES SANOFI (FR) 1999-04-06 US disclosed
US-5780468-A ANTAGONIST OF PLATELET ACTIVATING FACTOR SANOFI (FR) 1998-07-14 US disclosed
US-5470855-A Anticoagulants SANOFI (FR) 1995-11-28 US disclosed