SCHEMBL28484644

SCHEMBL28484644

Nc1c2ccccc2c(N)c2c(-c3cc(-c4ccc(C5CCCCC5)cc4)cc(-c4ccc(C5CCCCC5)cc4)c3)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.39
▸ S1PR1 P21453 3/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ HKDC1 Q2TB90 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ DGAT1 O75907 1/20 0.34
▸ KMO O15229 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ CTSD P07339 1/20 0.34
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 0.33

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
SCHEMBL28487176 0.89 HKDC1 (0.39) DHODHS1PR1S1PR5HKDC1KMT2A
SCHEMBL28523721 0.82 DHODH (0.38) DHODHS1PR1S1PR5KMT2AHSP90AA1
SCHEMBL28907574 0.78 CTSD (0.36) DHODHS1PR1S1PR5KMT2AHSP90AA1
SCHEMBL27521144 0.72 HSD17B10 (0.43) HKDC1KMT2AGAAMAPTTDP1
SCHEMBL21343264 0.72 KMT2A (0.47) DHODHS1PR1KMT2AHSP90AA1GAA
SCHEMBL11764880 0.72 NPC1 (0.51) DHODHS1PR1S1PR5KMT2AHSP90AA1
SCHEMBL28534069 0.71 ALDH1A1 (0.52) DHODHS1PR1S1PR5KMT2AHSP90AA1
SCHEMBL22252257 0.70 DHODH (0.38) DHODHS1PR1S1PR5KMT2AHSP90AA1
SCHEMBL4798872 0.69 ALDH1A1 (0.46) HKDC1KMT2AGAAMAPTTDP1
SCHEMBL18561699 0.68 NPC1 (0.58) DHODHS1PR1S1PR5KMT2AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112441931-A Compound, light-emitting device, light-emitting apparatus, electronic device, and lighting apparatus 株式会社半导体能源研究所 2021-03-05 — — CN disclosed
CN-111954939-A Light-emitting element, display device, electronic device, organic compound, and lighting device 株式会社半导体能源研究所 2020-11-17 — — CN disclosed
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