SCHEMBL27675554

SCHEMBL27675554

COc1cccc(OC)c1C(=O)NC(N)=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
ALDH1A1 P00352 3/20 0.54
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
RAB9A P51151 1/20 0.49
GFER P55789 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL8658970 0.90 ATM (0.60) KMT2AATMCA12CA1CA2
SCHEMBL27675595 0.89 KMT2A (0.62) KMT2AATMCA12CA1CA2
SCHEMBL13527523 0.81 CA12 (0.59) KMT2AATMCA12CA1CA2
SCHEMBL27842201 0.81 CTSD (0.65) KMT2AATMCA12CA1CA2
SCHEMBL11272638 0.80 CTSD (0.69) KMT2AALDH1A1GAASMN1; SMN2TSHR
SCHEMBL4156158 0.79 CA12 (0.61) KMT2AATMCA12CA1CA2
SCHEMBL6505437 0.79 CA12 (0.61) KMT2AATMCA12CA1CA2
SCHEMBL11263913 0.79 CA12 (0.61) KMT2AATMCA12CA1CA2
SCHEMBL1030218 0.78 CA12 (0.65) KMT2ACA12CA1CA2CA7
SCHEMBL11091421 0.77 ATM (0.80) KMT2AATMCA12CA1CA2

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
CN-85109721-A Preparation has the ectoparasite of the no disease homoiothermic animal of control and the method for endoparasite compositions 1987-07-15 CN disclosed