SCHEMBL11617697

SCHEMBL11617697

O=C(Nc1ccc(Cl)cc1)c1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 1.00
KMT2A Q03164 2/20 0.86
NT5E P21589 1/20 0.86
GAA P10253 1/20 0.81
KDM4E B2RXH2 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
HTT P42858 1/20 0.68
MEN1 O00255 1/20 0.68
LMNA P02545 2/20 0.68
POLB P06746 1/20 0.68
NAMPT P43490 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.66
MAPT P10636 1/20 0.65
RECQL P46063 1/20 0.65
JAK2 O60674 1/20 0.62
TYK2 P29597 1/20 0.62
SNCA P37840 1/20 0.62
CYP11B1 P15538 1/20 0.61
CYP11B2 P19099 1/20 0.61
NPC1 O15118 1/20 0.60

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
SCHEMBL19242053 0.90 GAA (1.00) MAPK1KMT2ANT5EGAAKDM4E
SCHEMBL10939703 0.86 NPC1 (0.76) MAPK1KMT2ANT5EMEN1LMNA
SCHEMBL1898755 0.86 GAA (0.91) MAPK1KMT2ANT5EGAAKDM4E
SCHEMBL9767723 0.86 NPC1 (0.76) MAPK1KMT2ANT5EMEN1LMNA
SCHEMBL611657 0.86 NPC1 (0.76) MAPK1KMT2ANT5EMEN1LMNA
SCHEMBL5223022 0.85 POLB (0.75) MAPK1KMT2ANT5EGAAHTT
SCHEMBL19241697 0.85 GAA (0.88) MAPK1KMT2ANT5EGAAKDM4E
SCHEMBL7461375 0.84 GAA (0.79) MAPK1KMT2ANT5EGAAKDM4E
SCHEMBL10016472 0.83 RAB9A (0.77) MAPK1KMT2ANT5EGAAKDM4E
SCHEMBL23734986 0.83 GAA (0.85) MAPK1KMT2ANT5EGAAKDM4E

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-4112100-A INCREASING THE ENDOGENOUS PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 US disclosed
US-4069224-A N-(PYRIDYLALKYL)BENZAMIDES, IMPROVE PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-01-17 US disclosed
US-4008326-A INCREASING PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-02-15 US disclosed
US-4001256-A PROSTAGLANDIN PRODUCTION IN MAMMALS THE UPJOHN COMPANY (US) 1977-01-04 US disclosed