SCHEMBL9697115

SCHEMBL9697115

CC1(C)CN(CCCNC2CCCCC2)CC(C)(C)N1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.44
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
CXCR4 P61073 7/20 0.36
CXCL12 P48061 1/20 0.36
HRH3 Q9Y5N1 5/20 0.35
HRH4 Q9H3N8 4/20 0.35
SIGMAR1 Q99720 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX1 P07099 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL9488985 0.90 RAD52 (0.54) RAD52KDM4ELMNACXCR4CXCL12
SCHEMBL9782959 0.81 RAD52 (0.51) RAD52KDM4ELMNASIGMAR1SMN1; SMN2
SCHEMBL11142790 0.77 CXCR4 (0.44) RAD52KDM4ELMNACXCR4CXCL12
SCHEMBL9351938 0.76 KDM4E (0.40) RAD52KDM4ELMNACXCR4CXCL12
SCHEMBL6493217 0.76 RAD52 (0.59) RAD52LMNACXCR4CXCL12HRH3
SCHEMBL6503351 0.76 RAD52 (0.59) RAD52LMNACXCR4CXCL12HRH3
SCHEMBL10605493 0.76 SLC2A1 (0.46) RAD52KDM4ELMNACXCR4CXCL12
SCHEMBL7947655 0.74 RAD52 (0.58) RAD52LMNACXCR4CXCL12HRH3
SCHEMBL20614282 0.74 RAD52 (0.58) RAD52LMNACXCR4CXCL12HRH3
SCHEMBL9490794 0.73 TP53 (0.30) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508181-A1 Hybrid process for preparing a tri-substituted triazine THE B.F. GOODRICH COMPANY (US) 1992-10-14 EP claimed
EP-0508181-A1 Hybrid process for preparing a tri-substituted triazine THE B.F. GOODRICH COMPANY (US) 1992-10-14 EP disclosed
US-5106971-A Hybrid process for preparing a tri-substituted triazine THE B. F. GOODRICH COMPANY (US) 1992-04-21 US disclosed