SCHEMBL9750330

SCHEMBL9750330

O=C(O)c1cn(-c2ccc(F)cc2)c2c(F)c(N3C[C@@H]4C[C@H]3CN4)c(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 7/20 0.46
POLB P06746 2/20 0.46
HSP90AA1 P07900 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PIM1 P11309 2/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 5/20 0.45
HSD17B10 Q99714 5/20 0.45
PMP22 Q01453 1/20 0.43
PRKD3 O94806 1/20 0.41
ALOX15 P16050 1/20 0.41
OPRM1 P35372 1/20 0.41
CLK2 P49760 1/20 0.41
KCNH2 Q12809 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TOP2A P11388 3/20 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
SCHEMBL9749281 0.84 LMNA (0.50) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9378328 0.83 KCNH2 (0.55) KDM4EALDH1A1POLBLMNAMEN1
SCHEMBL9129939 0.83 KDM4E (0.61) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9748406 0.83 KDM4E (0.61) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9837602 0.82 HSD17B10 (0.64) KDM4EALDH1A1POLBPIM1LMNA
SCHEMBL10391017 0.82 KDM4E (0.45) KDM4EALDH1A1POLBLMNAMEN1
SCHEMBL9146453 0.80 PIM1 (0.49) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9146460 0.80 PIM1 (0.49) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9146445 0.80 PIM1 (0.49) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9661718 0.80 EPHA2 (0.43) KDM4EALDH1A1POLBLMNAKMT2A

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