SCHEMBL5743529

SCHEMBL5743529

c1cc2c(cc1CCNC[C@@H]1CCCNC1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.43
LMNA P02545 7/20 0.42
MAPT P10636 5/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 4/20 0.42
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPY5R Q15761 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 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
SCHEMBL1526850 0.90 NPY5R (0.47) ACP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5648991 0.90 NPY5R (0.47) ACP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6245276 0.90 NPY5R (0.47) ACP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1966433 0.83 LMNA (0.50) LMNAMAPTTP53HTTALDH1A1
SCHEMBL1969756 0.75 POLB (0.56) LMNAALDH1A1TSHRKDM4ETDP1
SCHEMBL2941353 0.73 EED (0.58) ACP1MAPTALDH1A1
Hydrochloric Acid SCHEMBL695050 0.72 POLB (0.50) LMNAALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL3689421 0.70 CYP3A4 (0.47) HTTALDH1A1KDM4ETDP1MEN1
SCHEMBL3695366 0.69 KDM1A (0.49) HTTALDH1A1MEN1KMT2A
SCHEMBL19529624 0.69 CYP1A2 (0.58) LMNAHTTALDH1A1THRBNPC1

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-1613624-A2 NOVEL COMPOUNDS HAVING AN ANTIBACTERIAL ACTIVITY Morphochem AG Aktiengesellschaft für kombinatorische Chemie (DE) 2006-01-11 EP disclosed
WO-2004089947-A2 NOVEL COMPOUNDS HAVING AN ANTIBACTERIAL ACTIVITY MORPHOCHEM AG (DE) 2004-10-21 WO disclosed