SCHEMBL7983565

SCHEMBL7983565

CCOC(=O)CCNC(=O)c1ccc2c(CC)nn(C3CCCC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 7/20 0.44
HPGD P15428 4/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE7A Q13946 3/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7983891 0.88 HPGD (0.45) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL8326204 0.84 NPC1 (0.47) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL7987870 0.84 HPGD (0.40) ALDH1A1HPGDLMNASMN1; SMN2PDE7A
SCHEMBL27566563 0.84 HPGD (0.47) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL27517740 0.83 HPGD (0.40) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL7970370 0.82 PDE4A (0.44) ALDH1A1HPGDLMNASMN1; SMN2PDE7A
SCHEMBL7980646 0.81 NPY5R (0.50) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL7984087 0.81 PDK1 (0.40) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL7984229 0.81 PDE4A (0.46) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL3605146 0.80 MERTK (0.46) MEN1KMT2AALDH1A1HPGDLMNA

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
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