SCHEMBL9036111

SCHEMBL9036111

CC1Cc2c(Cl)c(Cl)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.50
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.43
TOP2A P11388 8/20 0.42
TOP2B Q02880 8/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALB P02768 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
AADAT Q8N5Z0 2/20 0.41
POLB P06746 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41

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
SCHEMBL9582926 1.00 KDM4E (0.50) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL10998166 0.88 KDM4E (0.60) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL11002928 0.88 LMNA (0.56) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL9703818 0.85 KDM4E (0.48) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL11164745 0.84 KDM4E (0.46) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL10432962 0.83 KDM4E (0.43) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL11160975 0.82 KDM4E (0.57) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL11166942 0.81 LMNA (0.50) KDM4ESMN1; SMN2CYP1A2LMNATOP2A
SCHEMBL11166414 0.81 LMNA (0.49) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL9582803 0.80 LMNA (0.58) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0390135-B1 Pyrroloquinoline derivatives, antimicrobial agents using the same and process for preparing the same OTSUKA PHARMA CO LTD (JP) 1996-06-05 EP disclosed
US-5185337-A Pyrroloquinoline derivatives and pharmaceutical compositions for antimicrobial use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-02-09 US disclosed
EP-0390135-A1 Pyrroloquinoline derivatives, antimicrobial agents using the same and process for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-03 EP disclosed