SCHEMBL2852750

SCHEMBL2852750

FC1(F)CCc2sc3c(N4CCCCCN4)ncnc3c2C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
DRD2 P14416 1/20 0.33
TSHR P16473 2/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTR2C P28335 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2803724 0.81 KDM4E (0.45) ALDH1A1KDM4EPOLBDRD2TSHR
SCHEMBL9884156 0.66 ADRB1 (0.37) LMNA
SCHEMBL2800451 0.66 ADRB1 (0.47) HTR2C
SCHEMBL605479 0.65 ADRB1 (0.46) HTR2C
SCHEMBL605467 0.65 DRD2 (0.64) ALDH1A1KDM4EPOLBDRD2TSHR
SCHEMBL2802043 0.60 POLB (0.46) ALDH1A1KDM4EPOLBDRD2TSHR
Trifluoroacetic Acid SCHEMBL9105391 0.60 ADRB1 (0.40)
SCHEMBL605437 0.59 HRH4 (0.48)
SCHEMBL604041 0.58 HRH3 (0.34)
SCHEMBL2804898 0.58 HTT (0.43) ALDH1A1KDM4EDRD2TSHRKMT2A

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
EP-2200595-A2 THIENO-AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2010-06-30 EP claimed
WO-2009038673-A2 THIENO-AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-26 WO claimed