SCHEMBL11745459

SCHEMBL11745459

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP1A2 P05177 1/20 0.57
LMNA P02545 1/20 0.57
KMT2A Q03164 1/20 0.42
AADAT Q8N5Z0 2/20 0.41
TOP2A P11388 7/20 0.40
TOP2B Q02880 7/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
ALB P02768 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39

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
SCHEMBL10998166 0.88 KDM4E (0.60) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL10785119 0.86 LMNA (0.68) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
Water SCHEMBL10788704 0.85 LMNA (0.67) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL11745221 0.83 KDM4E (0.53) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL10998820 0.82 KDM4E (0.55) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL11000397 0.82 LMNA (0.65) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL10782548 0.82 LMNA (0.68) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL11162090 0.81 LMNA (0.64) KDM4ESMN1; SMN2CYP1A2LMNAAADAT
SCHEMBL11164356 0.81 LMNA (0.61) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL11165938 0.80 LMNA (0.63) KDM4ESMN1; SMN2CYP1A2LMNAAADAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4014877-A MICROBIOCIDES RIKER LABORATORIES, INC. (US) 1977-03-29 US disclosed
US-4001243-A ANTI-MICROBIAL RIKER LABORATORIES, INC. (US) 1977-01-04 US disclosed
US-3985882-A ADMISTERING RIKER LABORATORIES, INC. (US) 1976-10-12 US disclosed
US-3969463-A MICROBIOCIDE RIKER LABORATORIES, INC. (US) 1976-07-13 US disclosed