SCHEMBL8552755

SCHEMBL8552755

Cc1oc2ccc(NC(=S)N3CCN(c4ccccc4)CC3)cc2c1CCN(C)Cc1cccc2ncncc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.43
MAPT P10636 12/20 0.43
ALDH1A1 P00352 9/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 2/20 0.39
PHGDH O43175 1/20 0.38
GAA P10253 7/20 0.37
RAD52 P43351 3/20 0.37
PKM P14618 1/20 0.37
BLM P54132 1/20 0.37
LMNA P02545 2/20 0.36
PDGFRB P09619 2/20 0.36
EGFR P00533 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
SCHEMBL8552959 0.86 KDM4E (0.43) KDM4EMAPTALDH1A1RAB9AMEN1
SCHEMBL8550370 0.81 KDM4E (0.41) KDM4EMAPTALDH1A1RAB9AMEN1
SCHEMBL8550531 0.78 EGFR (0.42) KDM4EMAPTALDH1A1RAB9AGAA
SCHEMBL8551238 0.69 ROCK1 (0.37) KDM4EMAPTALDH1A1RAB9APHGDH
SCHEMBL8192418 0.69 HSP90AA1 (0.38) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8553478 0.69 MAPT (0.37) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL8550959 0.68 KDM4E (0.39) KDM4EMAPTALDH1A1RAB9AKMT2A
SCHEMBL7145054 0.66 KMT2A (0.41) KDM4EMAPTALDH1A1MEN1KMT2A
Acetic Acid SCHEMBL8548884 0.63 JAK2 (0.39) KDM4EMAPTALDH1A1RAB9AMEN1
Hexanoate SCHEMBL8551431 0.63 KDM4E (0.40) KDM4EMAPTALDH1A1RAB9AMEN1

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-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed