SCHEMBL9635855

SCHEMBL9635855

CCOCCn1c(CN2CCNCC2)nc2cccnc21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.64
HIF1A Q16665 3/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 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
SCHEMBL9687018 0.96 SLC6A9 (0.60) SLC6A9HIF1AMEN1KMT2ATSHR
Fumaric Acid SCHEMBL9634770 0.92 SLC6A9 (0.58) SLC6A9HIF1AMEN1KMT2ATSHR
SCHEMBL9635008 0.90 SLC6A9 (0.55) SLC6A9MEN1KMT2ATSHRALDH1A1
SCHEMBL10444904 0.90 SLC6A9 (0.67) SLC6A9MEN1KMT2ATSHRALDH1A1
SCHEMBL9687058 0.89 SLC6A9 (0.57) SLC6A9MEN1KMT2ATSHRALDH1A1
SCHEMBL9685926 0.89 SLC6A9 (0.68) SLC6A9MEN1KMT2ATSHRALDH1A1
SCHEMBL9686512 0.89 SLC6A9 (0.68) SLC6A9HIF1AMEN1KMT2ATSHR
SCHEMBL9634663 0.89 SLC6A9 (0.56) SLC6A9MEN1KMT2ATSHRALDH1A1
SCHEMBL9686855 0.87 SLC6A9 (0.59) SLC6A9MEN1KMT2ATSHRALDH1A1
SCHEMBL9635911 0.86 SLC6A9 (0.68) SLC6A9MEN1KMT2ATSHRALDH1A1

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
EP-0307014-B1 ANTI-ALLERGIC 2-(HETEROCYCLYL ALKYL) IMIDAZO PYRIDINES AND 2-(HETEROCYCLYL ALKYL) PURINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-09 EP disclosed
US-5086056-A Treating allergic diseases JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-04 US disclosed
US-5011842-A Antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-30 US disclosed
US-4946843-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-07 US disclosed
EP-0307014-A1 Anti-allergic 2-(heterocyclyl alkyl) imidazo pyridines and 2-(heterocyclyl alkyl) purines JANSSEN PHARMACEUTICA N.V. (BE) 1989-03-15 EP disclosed