SCHEMBL21159987

SCHEMBL21159987

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccccc5c4-c4cccnc4)cc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.48
ALDH1A1 P00352 8/20 0.47
CYP3A4 P08684 5/20 0.47
TSHR P16473 4/20 0.47
CYP1A2 P05177 3/20 0.47
CLK4 Q9HAZ1 3/20 0.47
MEN1 O00255 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
KMT2A Q03164 2/20 0.47
GLA P06280 1/20 0.47
CYP17A1 P05093 3/20 0.46
CYP11B2 P19099 3/20 0.46
CYP19A1 P11511 1/20 0.46
GPR84 Q9NQS5 1/20 0.46
MAPT P10636 6/20 0.46
HPGD P15428 4/20 0.46
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46

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
SCHEMBL17829311 0.94 CYP11B1 (0.48) CYP11B1ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL17829320 0.94 CYP11B1 (0.48) CYP11B1ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL17598596 0.92 CYP11B1 (0.48) CYP11B1ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL17598590 0.89 CYP11B1 (0.48) CYP11B1ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL25682466 0.88 CYP11B1 (0.46) CYP11B1ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL21131944 0.87 PIK3CA (0.47) CYP11B1ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL21131958 0.86 CYP2A6 (0.43) CYP11B1ALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL21131514 0.86 MAPT (0.45) ALDH1A1TSHRCYP1A2MEN1KMT2A
SCHEMBL30808406 0.86 MAPT (0.45) ALDH1A1TSHRCYP1A2MEN1KMT2A
SCHEMBL21131501 0.85 MAPT (0.48) ALDH1A1TSHRMEN1KMT2AMAPT

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
EP-3498804-B1 ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2020-06-03 EP disclosed
EP-3498804-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2019-06-19 EP disclosed