SCHEMBL4553949

SCHEMBL4553949

O=C(O)c1ccc(N2CCN3CCCC3C2)s1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HDAC4 P56524 1/20 0.42
HRH3 Q9Y5N1 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 3/20 0.39
ACKR3 P25106 1/20 0.38
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL64298 0.82 ALDH1A1 (0.43) HDAC4HRH3ALDH1A1HPGDPOLB
SCHEMBL81602 0.77 HRH3 (0.46) HRH3ALDH1A1HPGDNPC1POLB
SCHEMBL5226095 0.74 ALDH1A1 (0.46) ALDH1A1HPGDPOLBKDM4E
SCHEMBL6125963 0.73 USP2 (0.51) L3MBTL3L3MBTL1HDAC4HRH3NPC1
SCHEMBL5228374 0.73 KMT2A (0.49) L3MBTL1ALDH1A1HPGDNPC1POLB
SCHEMBL6274318 0.72 DAO (0.39) ALDH1A1POLBKDM4E
SCHEMBL4438126 0.70 DAO (0.44) L3MBTL1ALDH1A1NPC1POLBKDM4E
SCHEMBL12663041 0.70 HRH3 (0.44) L3MBTL1HDAC4HRH3ALDH1A1KDM4E
SCHEMBL28290140 0.69 GAA (0.41) L3MBTL3L3MBTL1ALDH1A1POLBACKR3
SCHEMBL4554523 0.69 CHKA (0.41) ALDH1A1NPC1POLBKDM4E

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