SCHEMBL18436247

SCHEMBL18436247

CCOC(=O)CC1=CC=C(Cl)NN1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PKM P14618 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL21737323 0.68
SCHEMBL28865194 0.66 KDM4E (0.49) MAPTSMN1; SMN2LMNAKDM4ERAB9A
SCHEMBL68340 0.66 PKM (0.60) SMN1; SMN2LMNAKMT2APKMHSD17B10
SCHEMBL25664507 0.66 GAA (0.57) SMN1; SMN2LMNAKDM4ECA12CA1
SCHEMBL703931 0.66 MAPT (0.72) MAPTRAB9AKMT2AALDH1A1
SCHEMBL6367851 0.66 MAPT (0.51) MAPTSMN1; SMN2LMNAKDM4ERAB9A
SCHEMBL16731569 0.66 KMT2A (0.49) MAPTSMN1; SMN2LMNAKDM4ERAB9A
SCHEMBL68851 0.65 CYP4Z1 (0.62) MAPTSMN1; SMN2LMNAKDM4ERAB9A
SCHEMBL137425 0.64 HSP90AB1 (0.51) MAPTSMN1; SMN2LMNAKDM4ECA12
SCHEMBL24690441 0.64 MAPT (0.47) MAPTSMN1; SMN2LMNAKDM4ERAB9A

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
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP disclosed