SCHEMBL9256774

SCHEMBL9256774

Cc1[nH]c(C)c(-c2ccc(Cl)c(Cl)c2)c(=O)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
IKBKB O14920 1/20 0.46
SLC2A1 P11166 1/20 0.43
AHR P35869 4/20 0.42
CYP1B1 Q16678 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
ALOX12 P18054 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CHUK O15111 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
ALKBH3 Q96Q83 1/20 0.39
IDO1 P14902 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
SCHEMBL9272741 0.84 MEN1 (0.45) MEN1KMT2AHTTIKBKBSLC2A1
SCHEMBL9265685 0.81 SLC2A1 (0.62) MEN1KMT2AHTTIKBKBSLC2A1
SCHEMBL9264323 0.79 SLC2A1 (0.60) MEN1KMT2AHTTIKBKBSLC2A1
SCHEMBL9262778 0.78 TYMP (0.51) MEN1KMT2ASLC2A1GAAPTGS2
SCHEMBL3392595 0.78 SLC2A1 (0.48) MEN1KMT2AIKBKBSLC2A1GAA
SCHEMBL3392710 0.78 SLC2A1 (0.48) MEN1KMT2AHTTIKBKBSLC2A1
SCHEMBL9272305 0.77 PDGFRA (0.50) MEN1KMT2AHTTSLC2A1GAA
SCHEMBL9266330 0.77 TYMP (0.50) MEN1KMT2ASLC2A1GAAPTGS2
SCHEMBL9271084 0.77 MEN1 (0.47) MEN1KMT2AHTTIKBKBAHR
SCHEMBL9270359 0.73 SLC2A1 (0.78) MEN1KMT2AHTTIKBKBSLC2A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5403934-A Heterocyclic compounds BURROUGHS WELLCOME CO. (US) 1995-04-04 US disclosed
WO-1991013873-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-19 WO disclosed