SCHEMBL19257504

SCHEMBL19257504

Brc1ccc(-c2cccnc2)c(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.54
CYP11B2 P19099 5/20 0.54
RXFP1 Q9HBX9 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 1/20 0.47
CYP3A4 P08684 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
USP8 P40818 1/20 0.47
PTGS2 P35354 1/20 0.46
CYP19A1 P11511 2/20 0.46
PRNP P04156 1/20 0.46
PPARG P37231 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
CYP17A1 P05093 2/20 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
SCHEMBL21588612 1.00 CYP11B1 (0.54) CYP11B1CYP11B2RXFP1MAPTKMT2A
SCHEMBL28300994 0.95 CYP11B1 (0.59) CYP11B1CYP11B2RXFP1MAPTKMT2A
SCHEMBL31643014 0.87 CYP11B1 (0.53) CYP11B1CYP11B2RXFP1MAPTKMT2A
SCHEMBL364027 0.83 MAPK1 (0.52) MAPTALDH1A1CYP2A6CYP19A1TSHR
SCHEMBL30006434 0.83 MAPK1 (0.52) MAPTALDH1A1CYP2A6CYP19A1TSHR
SCHEMBL13682560 0.82 CYP11B1 (0.53) CYP11B1CYP11B2MAPTCYP3A4ALDH1A1
SCHEMBL31017586 0.81 CYP2A6 (0.64) CYP11B1CYP11B2MAPTCYP3A4ALDH1A1
SCHEMBL4621666 0.81 CYP2A6 (0.64) CYP11B1CYP11B2MAPTCYP3A4ALDH1A1
SCHEMBL25871463 0.81 CYP11B1 (0.49) CYP11B1CYP11B2MAPTCYP3A4ALDH1A1
SCHEMBL18154499 0.80 CYP11B1 (0.49) CYP11B1CYP11B2RXFP1MAPTKMT2A

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
WO-2017146406-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2017-08-31 WO disclosed
WO-2017135717-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2017-08-10 WO disclosed