SCHEMBL4553749

SCHEMBL4553749

CC(C)N1CCCN(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
PKM P14618 1/20 0.57
USP2 O75604 1/20 0.53
HDAC4 P56524 1/20 0.48
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
STAT1 P42224 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CHEK1 O14757 2/20 0.46
CHRNA7 P36544 1/20 0.46
GRIN2D O15399 1/20 0.45

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
SCHEMBL1305616 0.94 KDM4E (0.64) KDM4EALDH1A1MAPTPKMUSP2
Hydrochloric Acid SCHEMBL4652172 0.92 KDM4E (0.62) KDM4EALDH1A1MAPTPKMUSP2
SCHEMBL20193318 0.85 KDM4E (0.65) KDM4EALDH1A1MAPTUSP2NPC1
SCHEMBL22442320 0.83 KDM4E (0.67) KDM4EALDH1A1MAPTPKMUSP2
SCHEMBL63652 0.81 HPGD (0.49) KDM4EALDH1A1MAPTPKMNPC1
SCHEMBL14417582 0.81 MAPT (0.64) KDM4EALDH1A1MAPTPKMHDAC4
SCHEMBL14161817 0.80 KDM4E (0.58) KDM4EALDH1A1MAPTPKMHDAC4
SCHEMBL419882 0.80 ALDH1A1 (0.69) KDM4EALDH1A1MAPTPKMUSP2
SCHEMBL23610369 0.80 KDM4E (0.71) KDM4EALDH1A1MAPTUSP2NPC1
SCHEMBL17737082 0.80 KDM4E (0.71) KDM4EALDH1A1MAPTUSP2NPC1

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
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed