SCHEMBL7495196

SCHEMBL7495196

O=C(CN1CCOCC1)Nc1[c]cccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 1/20 0.63
ALDH1A1 P00352 9/20 0.62
KDM4E B2RXH2 1/20 0.56
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HTT P42858 2/20 0.53
USP2 O75604 1/20 0.53
ATM Q13315 1/20 0.53
ALOX15 P16050 1/20 0.52
GAA P10253 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL963770 0.86 LMNA (0.65) LMNAALDH1A1MAPTHPGDKMT2A
SCHEMBL961398 0.79 ALDH1A1 (0.52) LMNAALDH1A1KDM4EHPGDMEN1
SCHEMBL15569611 0.79 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1MAPTHPGD
SCHEMBL964201 0.78 CYP2C9 (0.60) SMN1; SMN2LMNAALDH1A1KDM4EMAPT
SCHEMBL10122851 0.78 LMNA (1.00) SMN1; SMN2LMNAALDH1A1KDM4EMAPT
SCHEMBL3757565 0.76 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4EMAPTHPGD
SCHEMBL5522488 0.75 LMNA (0.73) SMN1; SMN2LMNAALDH1A1KDM4EHPGD
SCHEMBL6174299 0.73 ALDH1A1 (0.69) SMN1; SMN2LMNAALDH1A1KDM4EMAPT
SCHEMBL3761623 0.73 LMNA (0.36) SMN1; SMN2LMNAALDH1A1HPGDMEN1
SCHEMBL30776643 0.72 ALDH1A1 (1.00) SMN1; SMN2LMNAALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165544-A1 SUBSTITUTED 1,4-DIHYDROINDENO[1,2-C]PYRAZOLES AS INHIBITORS OF TYROSINE KINASE BASF AKTIENGESELLSCHAFT (DE) 2002-01-02 EP disclosed
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2000059901-A1 SUBSTITUTED 1,4-DIHYDROINDENO[1,2-C]PYRAZOLES AS INHIBITORS OF TYROSINE KINASE KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2000-10-12 WO disclosed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO disclosed