SCHEMBL18176016

SCHEMBL18176016

COC(=O)c1cc(Cl)cc(NN)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
ALDH1A1 P00352 5/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HPGD P15428 1/20 0.59
XBP1 P17861 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44

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
Hydrochloric Acid SCHEMBL28250806 0.85 CA12 (0.52) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL12852694 0.84 MAPT (0.61) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL67540 0.82 ALDH1A1 (0.62) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL588343 0.82 ALDH1A1 (0.62) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL177003 0.79 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL5178010 0.79 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL28444399 0.79 KDM4E (0.51) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL18175964 0.79 CA1 (0.48) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL13151172 0.79 ALDH1A1 (0.41) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL5178012 0.78 POLB (0.60) MAPTALDH1A1MEN1KMT2AHPGD

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-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed