SCHEMBL28019901

SCHEMBL28019901

Brc1ccc2c3ccccc3n(C3CCCCC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 4/20 0.42
POLB P06746 2/20 0.42
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
RAD52 P43351 1/20 0.39
CRHBP P24387 3/20 0.38
CRHR2 Q13324 3/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
GRM4 Q14833 1/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL6947406 0.85 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ANPSR1POLB
SCHEMBL21448628 0.85 MEN1 (0.53) ALDH1A1MEN1KMT2ANPSR1POLB
SCHEMBL21448630 0.85 MEN1 (0.53) ALDH1A1MEN1KMT2ANPSR1POLB
SCHEMBL21448631 0.85 MEN1 (0.53) ALDH1A1MEN1KMT2ANPSR1POLB
SCHEMBL4728728 0.85 MEN1 (0.53) ALDH1A1MEN1KMT2ANPSR1POLB
SCHEMBL31469390 0.85 MEN1 (0.53) ALDH1A1MEN1KMT2ANPSR1POLB
SCHEMBL31469424 0.83 MEN1 (0.50) ALDH1A1MEN1KMT2ANPSR1POLB
SCHEMBL524763 0.79 MEN1 (0.50) ALDH1A1MEN1KMT2ANPSR1POLB
SCHEMBL31469456 0.79 MEN1 (0.50) ALDH1A1MEN1KMT2ANPSR1POLB
SCHEMBL30417189 0.79 MEN1 (0.50) ALDH1A1MEN1KMT2ANPSR1POLB

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-104844646-A Organic electroluminescent diode material and application thereof VALIANT CO LTD 2015-08-19 CN disclosed