SCHEMBL18174773

SCHEMBL18174773

Cc1ccncc1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccnc4)c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.49
CYP17A1 P05093 4/20 0.45
CYP1A2 P05177 4/20 0.45
CYP11B1 P15538 4/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP11B2 P19099 4/20 0.42
PTGS2 P35354 1/20 0.42
SLC2A1 P11166 1/20 0.41
KDM4E B2RXH2 2/20 0.39
NPY5R Q15761 1/20 0.39
PIK3CA P42336 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL9612942 0.93 DHODH (0.52) DHODHCYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL18174770 0.90 DHODH (0.49) DHODHCYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL18174703 0.90 CYP1A2 (0.48) DHODHCYP17A1CYP1A2CYP11B1CYP2E1
SCHEMBL15160913 0.90 SLC2A1 (0.50) DHODHCYP17A1CYP1A2CYP11B1CYP2E1
SCHEMBL18174771 0.90 DHODH (0.47) DHODHCYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL18174778 0.89 CYP19A1 (0.45) DHODHCYP11B1CYP2E1CYP3A4CYP2D6
SCHEMBL9612957 0.89 DHODH (0.48) DHODHCYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL18174788 0.89 DHODH (0.50) DHODHCYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL18174656 0.88 SLC2A1 (0.49) DHODHCYP17A1CYP1A2CYP11B1CYP3A4
SCHEMBL18174554 0.87 DHODH (0.52) DHODHCYP17A1CYP1A2CYP11B1CYP11B2

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
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed