SCHEMBL9829903

SCHEMBL9829903

CCN1CCCc2c[c]ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HRH3 Q9Y5N1 4/20 0.42
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
CASP7 P55210 1/20 0.35
SMAD3 P84022 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRM2 P08172 5/20 0.34
CHRM4 P08173 5/20 0.34
CHRM1 P11229 5/20 0.34
CHRM3 P20309 5/20 0.34
NPSR1 Q6W5P4 2/20 0.33

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
SCHEMBL4813901 0.90 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHRH3MAPT
SCHEMBL2090062 0.87 MEN1 (0.60) ALDH1A1MEN1KMT2AHRH3MAPT
SCHEMBL28477103 0.84 MEN1 (0.50) ALDH1A1MEN1KMT2AHRH3MAPT
SCHEMBL27192643 0.81 MEN1 (0.43) ALDH1A1MEN1KMT2AHRH3MAPT
SCHEMBL6399402 0.80 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL6719484 0.79 REN (0.46) ALDH1A1MEN1KMT2AHRH3MAPT
SCHEMBL696615 0.78 HDAC1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL6232164 0.78 CHRM2 (0.42) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL1419290 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL5802034 0.77 TSHR (0.47) ALDH1A1MEN1KMT2AMAPTGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304613-B1 BENZOPYRAN DERIVATIVES BASF Aktiengesellschaft (DE) 1991-06-26 EP disclosed
US-4958021-A PRESSURE AND HEAT SENSITIVE RECORDING MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1990-09-18 US disclosed
EP-0304613-A1 Benzopyran derivatives BASF Aktiengesellschaft (DE) 1989-03-01 EP disclosed