SCHEMBL4026285

SCHEMBL4026285

CC1(C)CCc2[nH]c3ccc(Cl)cc3c2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 2/20 0.49
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
SIRT1 Q96EB6 2/20 0.43
HTR2A P28223 6/20 0.42
HTR2C P28335 5/20 0.42
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPK10 P53779 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL14041491 0.82 BAZ2B (0.47) BAZ2BLMNAKDM4EGAASIRT1
SCHEMBL20602364 0.82 MAPT (0.59) BAZ2BLMNAKDM4ESIRT1MEN1
SCHEMBL17026942 0.81 KDM4E (0.49) BAZ2BKDM4EGAAMEN1ALDH1A1
SCHEMBL4024352 0.80 HSD17B10 (0.56) BAZ2BLMNAKDM4EHTR2AHTR2C
SCHEMBL4032318 0.79 AR (0.55) MEN1MAPTMAPK10KMT2A
SCHEMBL17026844 0.79 KIF11 (0.46) KDM4EMEN1KMT2A
SCHEMBL31510878 0.78 HTR2A (0.51) BAZ2BLMNAKDM4EHTR2AHTR2C
SCHEMBL31510880 0.78 HTR2A (0.51) BAZ2BLMNAKDM4EHTR2AHTR2C
SCHEMBL4026240 0.78 KMT2A (0.58) LMNAKDM4EGAAMEN1ALDH1A1
SCHEMBL4026759 0.75 KMT2A (0.61) LMNAKDM4EMEN1ALDH1A1MAPT

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
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed