SCHEMBL7983891

SCHEMBL7983891

CCc1nn(C2CCCC2)c2cc(C(=O)NCCC(=O)O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
GCGR P47871 2/20 0.44
S1PR1 P21453 2/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
PDE7A Q13946 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TEAD1 P28347 1/20 0.39
TEAD4 Q15561 1/20 0.39
TEAD2 Q15562 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CACNA1G O43497 1/20 0.39
HTR3A P46098 1/20 0.39

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
SCHEMBL27566563 0.93 HPGD (0.47) HPGDGCGRALDH1A1LMNASMN1; SMN2
SCHEMBL7970370 0.90 PDE4A (0.44) HPGDALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL7983565 0.88 MEN1 (0.50) HPGDALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL8326204 0.88 NPC1 (0.47) HPGDALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL7980646 0.84 NPY5R (0.50) HPGDALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL28743198 0.84 NR1H4 (0.46) HPGDALDH1A1MAPTTEAD1TEAD4
SCHEMBL7987870 0.84 HPGD (0.40) HPGDALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL7984229 0.84 PDE4A (0.46) HPGDALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3176719 0.84 TEAD1 (0.53) ALDH1A1MEN1KMT2AMAPTPDE7A
SCHEMBL27517740 0.83 HPGD (0.40) HPGDALDH1A1LMNASMN1; SMN2MEN1

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
US-6262040-B1 Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the production of tumor necrosis factor (TNF) PFIZER INC 2001-07-17 US disclosed
CN-1234031-A Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the prodn. of tumor necrosis factor (TNF) PFIZER (US) 1999-11-03 CN disclosed