SCHEMBL10998166

SCHEMBL10998166

CC1CCc2c(Cl)c(Cl)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CYP1A2 P05177 1/20 0.60
LMNA P02545 1/20 0.59
KMT2A Q03164 1/20 0.41
TOP2A P11388 7/20 0.41
TOP2B Q02880 7/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
ALB P02768 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
AADAT Q8N5Z0 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 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
SCHEMBL11745459 0.88 KDM4E (0.57) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL10782548 0.88 LMNA (0.68) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL9582926 0.88 KDM4E (0.50) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL9036111 0.88 KDM4E (0.50) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL11745221 0.85 KDM4E (0.53) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL10998820 0.84 KDM4E (0.55) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL11000397 0.84 LMNA (0.65) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL11162090 0.83 LMNA (0.64) KDM4ESMN1; SMN2CYP1A2LMNATOP2A
SCHEMBL11165938 0.82 LMNA (0.63) KDM4ESMN1; SMN2CYP1A2LMNATOP2A
SCHEMBL11001513 0.82 LMNA (0.55) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56055388-A None JP disclosed
US-4552879-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-11-12 US disclosed
US-4416884-A ANTIBIOTIC, BACTERICIDE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-22 US disclosed
US-4399134-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-08-16 US disclosed
JP-S5655388-A BENZO IJ QUINOLIDINE-2-CARBOXYLIC ACID DERIVATIVE, AND ITS PREPARATION OTSUKA PHARMACEUT CO LTD 1981-05-15 JP disclosed