SCHEMBL5597095

SCHEMBL5597095

OC1CCN(c2n[c]ccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
CYP2C19 P33261 1/20 0.41
SMO Q99835 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
EGFR P00533 4/20 0.35
CDK1 P06493 2/20 0.34
CDK2 P24941 2/20 0.34
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
PDPK1 O15530 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
PAK4 O96013 1/20 0.34
CHEK2 O96017 1/20 0.34
NTRK1 P04629 1/20 0.34
PRKCG P05129 1/20 0.34

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
SCHEMBL3513447 0.81 KDM4E (0.36) KDM4ECYP2C19LMNAHTTCDK2
SCHEMBL5596259 0.79 LMNA (0.50) KDM4ECYP2C19LMNAHTTMEN1
SCHEMBL2322094 0.79 CCNT1 (0.35) KDM4ELMNAHTTCDK2MEN1
SCHEMBL1874079 0.79 KDM4E (0.61) KDM4ECYP2C19SMOLMNAHTT
SCHEMBL15740549 0.78 EGFR (0.40) GPR119EGFRCDK2JAK2KDR
SCHEMBL11101846 0.76 ACHE (0.38) KDM4ECYP2C19LMNAMAPTALDH1A1
SCHEMBL1110443 0.76 POLB (0.41) KDM4ELMNAHTTCDK2MET
SCHEMBL1466733 0.76 ALDH1A1 (0.58) KDM4EALDH1A1HPGD
SCHEMBL5597094 0.76 HTR3A (0.42) CDK2MEN1KMT2A
SCHEMBL6441506 0.74 DRD2 (0.50) KDM4ECYP2C19MAPK1MEN1KMT2A

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-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed