SCHEMBL8553359

SCHEMBL8553359

Cc1oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2c1CCN(C)Cc1ccnc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.42
PTPN2 P17706 3/20 0.41
PTPN1 P18031 3/20 0.41
PTPN5 P54829 3/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 4/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSPD1 P10809 2/20 0.39
HSPE1 P61604 2/20 0.39
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7146842 0.84 BRD4 (0.47) HTR6SMN1; SMN2HTTMAPTGAA
SCHEMBL8549554 0.84 HTR6 (0.42) MEN1KMT2AHTR6ALDH1A1SMN1; SMN2
SCHEMBL8931396 0.78 BRD4 (0.48) HTR6SMN1; SMN2HTTMAPTGAA
SCHEMBL8546895 0.77 MEN1 (0.43) MEN1KMT2AALDH1A1USP2SMN1; SMN2
SCHEMBL8550370 0.74 KDM4E (0.41) MEN1KMT2AALDH1A1PKMSMN1; SMN2
SCHEMBL8550195 0.73 MEN1 (0.44) HIF1APTPN2PTPN1PTPN5MEN1
SCHEMBL8551076 0.71 CNR2 (0.41) MEN1KMT2AALDH1A1PKMHTT
SCHEMBL6669755 0.66 HTR1F (0.45) HIF1AKMT2AALDH1A1HTTTSHR
SCHEMBL19057714 0.65 MEN1 (0.83) HIF1APTPN1MEN1KMT2AALDH1A1
SCHEMBL23220383 0.64 MEN1 (0.65) HIF1APTPN1PTPN5MEN1KMT2A

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