SCHEMBL7724886

SCHEMBL7724886

OCC#Cc1cc(Cl)cc2nc(Cc3ccc(Cl)cc3Cl)oc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.34
PGK1 P00558 1/20 0.34
MBOAT4 Q96T53 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
AKR1B1 P15121 1/20 0.32
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90B1 P14625 1/20 0.31
TBXA2R P21731 1/20 0.31
PTGFR P43088 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
PTGIR P43119 1/20 0.31
PTGDR Q13258 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7733881 0.90 NLRP3 (0.36) MAPTHTTPGK1LMNAAKR1B1
SCHEMBL7737540 0.85 MAPT (0.44) SMN1; SMN2MAPTPGK1LMNAALDH1A1
SCHEMBL7737446 0.84 PGK1 (0.35) PGK1AKR1B1ALDH1A1MEN1KMT2A
SCHEMBL7734791 0.82 RAB9A (0.39) RAB9AAKR1B1ALDH1A1KMT2AL3MBTL1
SCHEMBL7735654 0.82 NPC1 (0.42) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL7737473 0.81 MEN1 (0.39) SMN1; SMN2MAPTHTTLMNARAB9A
SCHEMBL7735204 0.81 PGK1 (0.38) MAPTHTTPGK1LMNAAKR1B1
SCHEMBL7734319 0.80 AKR1B1 (0.34) MAPTPGK1RAB9AAKR1B1ALDH1A1
SCHEMBL7724872 0.79 GAA (0.36) SMN1; SMN2MAPTHTTPGK1RAB9A
SCHEMBL7734848 0.77 MAPT (0.38) SMN1; SMN2MAPTHTTMBOAT4AKR1B1

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-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US claimed