SCHEMBL18174560

SCHEMBL18174560

Cc1c(-c2cccnc2)cccc1-c1c2ccccc2c(-c2cccc(-c3cccnc3)c2C)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.50
CYP11B2 P19099 4/20 0.50
CYP2A6 P11509 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2E1 P05181 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PTGS2 P35354 1/20 0.45
CYP1A2 P05177 1/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
PDK2 Q15119 1/20 0.44

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
SCHEMBL18174584 0.89 CYP11B1 (0.44) CYP11B1CYP11B2CYP3A4CYP2D6CYP2C9
SCHEMBL21742825 0.86 PTGS2 (0.54) CYP11B1CYP11B2CYP2A6CYP3A4CYP2E1
SCHEMBL10032906 0.82 CYP11B2 (0.60) CYP11B1CYP11B2CYP17A1CYP19A1PARP10
SCHEMBL22007100 0.81 CYP11B1 (0.51) CYP11B1CYP11B2CYP2A6CYP3A4ALDH1A1
SCHEMBL18174563 0.81 IMPDH2 (0.45) ALDH1A1CYP1A2KDM4ELMNAHTT
SCHEMBL26259989 0.80 CYP2A6 (0.64) CYP11B1CYP11B2CYP2A6CYP3A4CYP2E1
SCHEMBL18877444 0.79 CYP11B1 (0.53) CYP11B1CYP11B2CYP2A6CYP3A4ALDH1A1
SCHEMBL17996010 0.79 CYP11B2 (0.56) CYP11B1CYP11B2CYP2A6CYP3A4CYP2E1
SCHEMBL18378751 0.79 CYP2A6 (0.56) CYP11B1CYP11B2CYP2A6CYP3A4CYP2E1
SCHEMBL17320743 0.79 CYP11B1 (0.49) CYP11B1CYP11B2CYP2A6CYP3A4ALDH1A1

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