SCHEMBL9582803

SCHEMBL9582803

C[C@H]1Cc2c(F)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
KDM4E B2RXH2 6/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP1A2 P05177 1/20 0.56
KMT2A Q03164 1/20 0.53
TOP2A P11388 9/20 0.52
TOP2B Q02880 9/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALB P02768 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
AADAT Q8N5Z0 2/20 0.51
TUBB4A P04350 1/20 0.51
POLB P06746 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51

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
SCHEMBL9582818 1.00 LMNA (0.58) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A
SCHEMBL8091043 1.00 LMNA (0.58) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A
SCHEMBL11002928 0.88 LMNA (0.56) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A
SCHEMBL8083425 0.88 LMNA (0.70) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A
SCHEMBL9033931 0.84 LMNA (0.43) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A
SCHEMBL9032049 0.84 LMNA (0.45) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A
SCHEMBL10996910 0.84 LMNA (0.68) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A
SCHEMBL11000457 0.83 LMNA (0.67) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A
SCHEMBL10432848 0.83 LMNA (0.51) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A
SCHEMBL9581753 0.82 KDM4E (0.71) LMNAKDM4ESMN1; SMN2CYP1A2KMT2A

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-5185337-A Pyrroloquinoline derivatives and pharmaceutical compositions for antimicrobial use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-02-09 US disclosed