SCHEMBL6202414

SCHEMBL6202414

[O]C(CN1CCCC1)c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 3/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 1/20 0.45
MBTD1 Q05BQ5 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
SIGMAR1 Q99720 4/20 0.43
SLC18A3 Q16572 2/20 0.43
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NLRP3 Q96P20 1/20 0.42
HPGD P15428 1/20 0.41
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL27754716 0.83 SMN1; SMN2 (0.46) SMN1; SMN2TDP1ALDH1A1GLALMNA
SCHEMBL27754714 0.81 ALDH1A1 (0.52) SMN1; SMN2TDP1ALDH1A1GLALMNA
SCHEMBL11200342 0.81 SMN1; SMN2 (0.51) SMN1; SMN2TDP1ALDH1A1GLALMNA
SCHEMBL2947190 0.80 SMN1; SMN2 (0.46) SMN1; SMN2TDP1ALDH1A1GLALMNA
SCHEMBL2947193 0.78 SMN1; SMN2 (0.45) SMN1; SMN2TDP1ALDH1A1GLALMNA
SCHEMBL28163310 0.78 SMN1; SMN2 (0.45) SMN1; SMN2TDP1ALDH1A1GLALMNA
SCHEMBL27625173 0.73 SMN1; SMN2 (0.43) SMN1; SMN2TDP1ALDH1A1GLALMNA
SCHEMBL11141005 0.71 LMNA (0.50) SMN1; SMN2TDP1LMNAMBTD1L3MBTL3
SCHEMBL18241853 0.71 PARP1 (0.44) SMN1; SMN2ALDH1A1GAAHPGDHTT
SCHEMBL27754552 0.70 HSP90AA1 (0.46) SMN1; SMN2ALDH1A1GLASIGMAR1SLC18A3

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-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed