SCHEMBL4554366

SCHEMBL4554366

CCc1cccc(C(=O)O)c1N1CCN(C2CCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 5/20 0.43
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
HRH3 Q9Y5N1 5/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PARP1 P09874 2/20 0.39
TP53BP1 Q12888 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL4554365 0.81 KDM4E (0.44) KDM2BKDM4EALDH1A1MEN1KMT2A
SCHEMBL5915128 0.77 HTR2C (0.51) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL18037807 0.76 KMO (0.44) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4554838 0.74 CHRM1 (0.40) ALDH1A1KMT2A
SCHEMBL18766586 0.72 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL18766587 0.72 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL28046983 0.70 NPC1 (0.54) KDM4EALDH1A1MEN1KMT2APARP1
SCHEMBL16057602 0.69 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL27903451 0.69 PARP1 (0.52) KDM2BHRH3PARP1
SCHEMBL14648297 0.69 LIPG (0.42) ALDH1A1

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