SCHEMBL27682808

SCHEMBL27682808

Clc1ccc2ocnc2c1.Oc1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
MAPT P10636 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 3/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ALDH1A1 P00352 2/20 0.38
FBP1 P09467 1/20 0.38
CTNNB1 P35222 3/20 0.38
WNT3A P56704 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL27663253 0.89 SMN1; SMN2 (0.38) NPC1MAPTMEN1KMT2AGAA
SCHEMBL29941475 0.81 DYRK1A (0.49) NPC1MAPTMEN1KMT2AGAA
SCHEMBL593252 0.81 DYRK1A (0.49) NPC1MAPTMEN1KMT2AGAA
Benzo[D]Oxazole SCHEMBL27663185 0.80 NPC1 (0.36) NPC1MAPTMEN1KMT2AGAA
Ammonia Solution, Strong SCHEMBL28837684 0.79 DYRK1A (0.47) NPC1MAPTMEN1KMT2AGAA
SCHEMBL9150108 0.70 DYRK1A (0.54) NPC1MAPTMEN1KMT2AGAA
SCHEMBL14920274 0.70 DYRK1A (0.47) NPC1MAPTMEN1KMT2AGAA
SCHEMBL8076216 0.68 DYRK1A (0.60) NPC1MEN1KMT2AGAAALDH1A1
SCHEMBL9222743 0.68 DYRK1A (0.55) DYRK1A
SCHEMBL926781 0.67 ALDH1A1 (0.51) NPC1MEN1KMT2AGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101296925-A Novel benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2008-10-29 CN disclosed
CN-101296731-A Novel benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2008-10-29 CN disclosed
CN-1993326-A Heterocyclic acetophenone potentiators of metabotropic glutamate receptors MERCK & CO INC (US) 2007-07-04 CN disclosed