SCHEMBL8616882

SCHEMBL8616882

O=C1c2ccccc2C(=O)N1COc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.56
PKM P14618 1/20 0.56
HSD17B10 Q99714 3/20 0.53
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRM5 P41594 1/20 0.42
HTR1A P08908 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
SCHEMBL7212283 0.82 RAB9A (0.62) MEN1KMT2AALDH1A1PKMHSD17B10
SCHEMBL8960362 0.81 RAB9A (0.56) MEN1KMT2AALDH1A1PKMHSD17B10
SCHEMBL29263667 0.80 RAB9A (0.55) MEN1KMT2AALDH1A1PKMHSD17B10
SCHEMBL1626840 0.77 CA12 (0.52) MEN1KMT2AALDH1A1PKMHSD17B10
SCHEMBL8614129 0.76 RAB9A (0.50) MEN1KMT2AALDH1A1PKMHSD17B10
SCHEMBL9519103 0.75 ALDH1A1 (0.46) MEN1KMT2AALDH1A1PKMHSD17B10
Hydrochloric Acid SCHEMBL8616864 0.75 MGAM (0.49) MEN1KMT2AALDH1A1PKMHSD17B10
SCHEMBL14577578 0.74 CHRM5 (0.59) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL9770647 0.74 RAB9A (0.66) KMT2AALDH1A1PKMMAPTRAB9A
SCHEMBL8616895 0.72 HTT (0.53) MEN1KMT2AALDH1A1PKMMAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 US disclosed
EP-0612729-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-04-23 EP disclosed
US-5561147-A ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-01 US disclosed
US-5457106-A Antiinflammatory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-10 US disclosed
US-5389658-A Administering as antipyretic, antiinflammatory, analgesic, antiallergic, or immunosupressive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0612729-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-31 EP disclosed
US-5246948-A Antiinflammatory, antipyretic, analgesic, antiallergic, immunosupressing or immunomodulating activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-21 US disclosed
EP-0522606-A2 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-13 EP disclosed