SCHEMBL27508474

SCHEMBL27508474

O=c1ncccn1-c1cc[nH]c1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
KDM4A O75164 1/20 0.31
TDP2 O95551 1/20 0.31
EGFR P00533 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31
PPARG P37231 1/20 0.31
CASP3 P42574 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
DUSP3 P51452 1/20 0.31
GALK1 P51570 1/20 0.31
BLM P54132 1/20 0.31
CASP7 P55210 1/20 0.31

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
SCHEMBL10059447 0.76 ATM (0.42) KDM4ENPC1LMNAMAPTHTT
SCHEMBL3081572 0.71 MKNK1 (0.41) KDM4EAPAF1LMNAMAPTCASP3
SCHEMBL29349038 0.71 KAT2B (0.43) KDM4ENPC1LMNAMAPTHTT
SCHEMBL3480507 0.70 GCK (0.36) KDM4EMAPTMAPK1KMT2A
SCHEMBL8033703 0.68
SCHEMBL8285971 0.68 ELANE (0.46) KDM4E
SCHEMBL28065853 0.67 NOTUM (0.50) KDM4ENPC1KDM4ALMNAMAPT
SCHEMBL3078101 0.67 KAT2B (0.48) NPC1POLBMAPTHTTRECQL
SCHEMBL5430590 0.65 MAPKAPK2 (0.51) KDM4EMAPTMAPK1RAB9AKMT2A
SCHEMBL16570002 0.63 CRBN (0.35) KDM4EPOLBBLMDDB1CRBN

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
CN-1131862-C Pyrrolidinyl, piperidinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-24 CN disclosed
CN-1353708-A Pyrrolidinyl-, piperidinyl-or homopiperidinyl-substituted (benzodioxan, benzofuran or benzopyran) derivatives JANSSEN PHARMACEUTICA NV (BE) 2002-06-12 CN disclosed