SCHEMBL10401508

SCHEMBL10401508

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)c(C(F)(F)F)c21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.68
DRD3 P35462 1/20 0.62
ALDH1A1 P00352 9/20 0.57
HPGD P15428 7/20 0.57
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
KMT2A Q03164 1/20 0.57
ADRA2B P18089 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 7/20 0.56
PMP22 Q01453 1/20 0.55
ALB P02768 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
TUBB4A P04350 1/20 0.53
POLB P06746 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53

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
SCHEMBL312380 0.89 KDM4E (0.84) KDM4EDRD3ALDH1A1HPGDMEN1
SCHEMBL10401471 0.89 KDM4E (0.63) KDM4EDRD3ALDH1A1HPGDMEN1
SCHEMBL8057366 0.88 KDM4E (0.53) KDM4EDRD3ALDH1A1HPGDMEN1
SCHEMBL8058568 0.88 KDM4E (0.52) KDM4EDRD3ALDH1A1HPGDMEN1
SCHEMBL8064249 0.87 KDM4E (0.52) KDM4EDRD3ALDH1A1HPGDMEN1
SCHEMBL8735575 0.86 KDM4E (0.51) KDM4EDRD3ALDH1A1HPGDMAPK1
SCHEMBL10768893 0.86 KDM4E (0.68) KDM4EDRD3ALDH1A1HPGDMEN1
SCHEMBL8057426 0.85 KDM4E (0.51) KDM4EDRD3ALDH1A1HPGDKMT2A
SCHEMBL9773683 0.85 KDM4E (0.67) KDM4EDRD3ALDH1A1HPGDMEN1
SCHEMBL8059277 0.84 KDM4E (0.49) KDM4EDRD3ALDH1A1HPGDMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0302525-A2 Quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-02-08 EP claimed
US-4803205-A Quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-02-07 US claimed
US-4933335-A Quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1990-06-12 US disclosed
EP-0302525-A2 Quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-02-08 EP disclosed
US-4803205-A Quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-02-07 US disclosed
US-4780468-A 8-trifluoromethyl quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1988-10-25 US disclosed