SCHEMBL28523721

SCHEMBL28523721

Nc1c2ccccc2c(N)c2c(-c3cc(-c4ccc(C5CCCCC5)cc4)cc(-c4ccc(C5CCCCC5)cc4)c3)c(-c3ccccc3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.38
▸ CTSD P07339 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ APP P05067 1/20 0.35
▸ PRKAB2 O43741 1/20 0.35
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ PRKAA1 Q13131 1/20 0.35
▸ PRKAG3 Q9UGI9 1/20 0.35
▸ PRKAG2 Q9UGJ0 1/20 0.35
▸ PRKAB1 Q9Y478 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ RAF1 P04049 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL28907574 0.96 CTSD (0.36) DHODHCTSDCYP3A4CYP2C9APP
SCHEMBL28484644 0.82 DHODH (0.39) DHODHCTSDPRKAB2PRKAG1PRKAA2
SCHEMBL28536313 0.72 RXRB (0.36) GAAMAPT
SCHEMBL28487176 0.71 HKDC1 (0.39) DHODHTDP1KMT2AS1PR1S1PR5
SCHEMBL28528718 0.71 RXRB (0.36) DHODHGAAMAPT
SCHEMBL11764880 0.71 NPC1 (0.51) DHODHNPC1RAB9ARAF1TDP1
SCHEMBL18561699 0.71 NPC1 (0.58) DHODHNPC1RAB9ARAF1TDP1
SCHEMBL537001 0.71 NPC1 (0.58) DHODHNPC1RAB9ARAF1TDP1
SCHEMBL27848727 0.71 NPC1 (0.58) DHODHNPC1RAB9ARAF1TDP1
SCHEMBL4249048 0.70 ADORA2A (0.40) NPC1RAB9AMAPTKMT2AADORA2A

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 1 patent. 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
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