SCHEMBL8550370

SCHEMBL8550370

Cc1oc2ccc(NC(=S)N3CCCCC3)cc2c1CCN(C)Cc1ccnc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.41
GAA P10253 6/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 11/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 5/20 0.39
RAD52 P43351 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39
KDM4D Q6B0I6 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
NSD2 O96028 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7145054 0.84 KMT2A (0.41) KDM4EGAAKMT2AALDH1A1MEN1
SCHEMBL8548267 0.84 KDM4E (0.41) KDM4EGAAKMT2AALDH1A1MEN1
SCHEMBL8551076 0.83 CNR2 (0.41) KMT2AALDH1A1MEN1RECQLHTT
SCHEMBL8546895 0.82 MEN1 (0.43) KDM4EGAAKMT2AALDH1A1MEN1
SCHEMBL8552755 0.81 KDM4E (0.43) KDM4EGAAKMT2AALDH1A1MEN1
SCHEMBL8550959 0.76 KDM4E (0.39) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL8553359 0.74 HIF1A (0.42) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL8551238 0.72 ROCK1 (0.37) KDM4EGAAALDH1A1MAPTRAD52
SCHEMBL8550531 0.71 EGFR (0.42) KDM4EGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL6669755 0.69 HTR1F (0.45) KMT2AALDH1A1HTTNPC1RAB9A

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