SCHEMBL7981706

SCHEMBL7981706

CCc1nn(C(C)C)c2cc(C(=O)OC)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
HSD17B10 Q99714 4/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 2/20 0.43
SLC22A12 Q96S37 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
APOBEC3A P31941 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MEN1 O00255 1/20 0.41
KIF11 P52732 1/20 0.40
ACSS2 Q9NR19 1/20 0.40
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
SSTR5 P35346 2/20 0.39
PTGER4 P35408 1/20 0.38
LCK P06239 1/20 0.38
GLA P06280 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
SCHEMBL23467051 0.90 KDM4E (0.47) KDM4EHSD17B10POLBTSHRALDH1A1
SCHEMBL15687748 0.89 KDM4E (0.43) KDM4EHSD17B10POLBTSHRALDH1A1
SCHEMBL28018803 0.86 KDM4E (0.41) KDM4EHSD17B10POLBTSHRALDH1A1
SCHEMBL3604215 0.85 SLC22A12 (0.44) POLBSLC22A12ALDH1A1HPGDSSTR5
SCHEMBL7382833 0.85 SLC22A12 (0.56) KDM4EPOLBSLC22A12HPGDKMT2A
SCHEMBL3606625 0.84 SLC22A12 (0.39) KDM4EHSD17B10POLBSLC22A12ALDH1A1
SCHEMBL15687369 0.83 KDM4E (0.40) KDM4EHSD17B10POLBTSHRALDH1A1
SCHEMBL3612834 0.83 SLC22A12 (0.39) KDM4EPOLBSLC22A12ALDH1A1HPGD
SCHEMBL27272748 0.83 SLC22A12 (0.44) KDM4EHSD17B10TSHRSLC22A12ALDH1A1
SCHEMBL15687424 0.83 KDM4E (0.44) KDM4EHSD17B10POLBTSHRSLC22A12

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