SCHEMBL7835892

SCHEMBL7835892

Fc1ccc(NCCc2ccccc2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
POLB P06746 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
ULK1 O75385 1/20 0.51
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL3711850 0.83 L3MBTL1 (0.49) RAB9APOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2376784 0.83 RAB9A (0.55) RAB9APOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL5203429 0.82 SHMT2 (0.56) RAB9APOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL5396991 0.82 MEN1 (0.53) RAB9APOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL3910980 0.82 L3MBTL1 (0.59) RAB9APOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1581188 0.81 L3MBTL1 (0.48) RAB9APOLBL3MBTL1MEN1KMT2A
SCHEMBL23958512 0.79 CHRM2 (0.56) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3910280 0.76 L3MBTL1 (0.73) RAB9AL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL12835536 0.76 FERMT2 (0.54) RAB9APOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL30046801 0.76 SHMT2 (0.45) RAB9APOLBALDH1A1SMN1; SMN2MEN1

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-0582789-B1 Novel 7-(substituted)-8-(substituted)-9-(substituted glycyl)amido-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID CO (US) 2001-10-04 EP claimed
EP-0582789-B1 Novel 7-(substituted)-8-(substituted)-9-(substituted glycyl)amido-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID CO (US) 2001-10-04 EP disclosed