SCHEMBL13376977

SCHEMBL13376977

c1ccc(-c2cc(-c3ccc(C4CCCCC4)cc3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccc(C5CCCCC5)cc4)nc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.55
▸ ADORA1 P30542 5/20 0.49
▸ ADORA2A P29274 3/20 0.49
▸ ADORA3 P0DMS8 2/20 0.49
▸ ADORA2B P29275 2/20 0.49
▸ RAF1 P04049 1/20 0.43
▸ S1PR1 P21453 3/20 0.41
▸ S1PR5 Q9H228 1/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ HIPK2 Q9H2X6 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PRKAA1 Q13131 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
SCHEMBL13458685 0.99 DHODH (0.54) DHODHADORA1ADORA2AADORA3ADORA2B
SCHEMBL5459250 0.92 DHODH (0.48) DHODHADORA1ADORA2AADORA3ADORA2B
SCHEMBL10295465 0.88 CTSS (0.46) DHODHADORA1ADORA2AADORA3ADORA2B
SCHEMBL10295460 0.83 S1PR1 (0.40) DHODHADORA1ADORA2AADORA3ADORA2B
SCHEMBL14560736 0.83 ADORA1 (0.42) DHODHADORA1ADORA2AADORA3ADORA2B
SCHEMBL14560733 0.83 S1PR1 (0.43) DHODHADORA1ADORA2AADORA3ADORA2B
SCHEMBL5401185 0.82 ADORA1 (0.47) DHODHADORA1ADORA2AADORA3ADORA2B
SCHEMBL14560740 0.82 ADORA1 (0.40) DHODHADORA1ADORA2AADORA3ADORA2B
SCHEMBL12112655 0.82 ACACA (0.51) ADORA1ADORA2AADORA3KMT2AMEN1
SCHEMBL10295457 0.81 ALDH1A1 (0.47) DHODHADORA1ADORA2AADORA3ADORA2B

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
EP-1097981-B1 Organic electroluminescent device SONY CORP (JP) 2010-04-14 — — EP disclosed
US-7186469-B2 Bathophenanthroline compound and EL device SONY CORPORATION (JP) 2007-03-06 — — US disclosed
US-7186469-B2 Bathophenanthroline compound and EL device SONY CORPORATION (JP) 2007-03-06 — — US disclosed
Send feedback