SCHEMBL7980646

SCHEMBL7980646

CCc1nn(C2CCCC2)c2cc(C(=O)NCCc3ccncc3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.50
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CNR2 P34972 1/20 0.43
HPGD P15428 4/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKR1C3 P42330 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ROCK2 O75116 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ROCK1 Q13464 1/20 0.41
MAPK3 P27361 1/20 0.40

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
SCHEMBL8326204 0.84 NPC1 (0.47) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL7416384 0.84 MAPT (0.51) MAPTL3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL7970370 0.82 PDE4A (0.44) SMN1; SMN2HDAC6HPGDMAPTMAPK1
SCHEMBL27566563 0.82 HPGD (0.47) SMN1; SMN2NPC1HPGDHSD17B10CYP2C9
SCHEMBL7296279 0.82 TEAD1 (0.39) MAPTMAPK1ALDH1A1KMT2AKDM4E
SCHEMBL28743198 0.81 NR1H4 (0.46) HPGDMAPTCYP3A4CYP2C9ALDH1A1
SCHEMBL7987870 0.81 HPGD (0.40) SMN1; SMN2HPGDMAPTALDH1A1KDM4E
SCHEMBL7984229 0.81 PDE4A (0.46) SMN1; SMN2HPGDMAPTALDH1A1KMT2A
SCHEMBL27517740 0.80 HPGD (0.40) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL3176719 0.78 TEAD1 (0.53) RAB9ANPC1MAPTL3MBTL1HSD17B10

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