SCHEMBL27678002

SCHEMBL27678002

CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(F)c3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 5/20 0.48
DRD3 P35462 1/20 0.48
ADRA2B P18089 1/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 4/20 0.45
HSD17B10 Q99714 3/20 0.45
NPC1 O15118 1/20 0.44
ALB P02768 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CSF1R P07333 1/20 0.44
TUBB4A P04350 1/20 0.43
POLB P06746 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43

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
SCHEMBL27670321 0.85 LMNA (0.53) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL15502445 0.85 ALDH1A1 (0.68) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL15502442 0.84 LMNA (0.76) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL11400835 0.83 DRD3 (0.66) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL11714798 0.82 MEN1 (0.51) MEN1KMT2ALMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11711048 0.82 DRD3 (0.65) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL15502434 0.82 KDM4E (0.53) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL5429854 0.81 TOP1 (0.43) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL27691975 0.80 MEN1 (0.43) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL27691977 0.80 MEN1 (0.43) MEN1KMT2ALMNAKDM4EALDH1A1

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
CN-86108942-A Amino and the 5-hydroxyl-6 as the 5-of antimicrobial drug, 8-two fluoroquinolones 1987-11-04 CN claimed