SCHEMBL9748406

SCHEMBL9748406

O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3C[C@@H]4C[C@H]3CN4)c(F)cc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
LMNA P02545 5/20 0.61
ALDH1A1 P00352 5/20 0.61
HPGD P15428 3/20 0.61
HSD17B10 Q99714 3/20 0.61
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
CYP1A2 P05177 1/20 0.43
TOP2A P11388 1/20 0.43
CYP2C9 P11712 1/20 0.43
TOP2B Q02880 1/20 0.43
TOP1 P11387 5/20 0.42
EPHA2 P29317 1/20 0.41
FLT4 P35916 1/20 0.41
GSK3B P49841 1/20 0.41
RARB P10826 1/20 0.41
TBXAS1 P24557 1/20 0.41
SLC6A3 Q01959 1/20 0.41
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL9129939 1.00 KDM4E (0.61) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9749739 0.92 LMNA (0.60) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9460824 0.91 LMNA (0.49) KDM4ELMNAALDH1A1HPGDHSD17B10
Water SCHEMBL9784852 0.90 LMNA (0.49) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL10690288 0.89 LMNA (0.48) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9748366 0.84 LMNA (0.66) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9749223 0.84 LMNA (0.66) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9748481 0.83 KDM4E (0.63) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9670968 0.83 KDM4E (0.63) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9750330 0.83 KDM4E (0.46) KDM4ELMNAALDH1A1HPGDHSD17B10

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
US-5091383-A SUBSTITUTED BRIDGED DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-02-25 US disclosed