SCHEMBL9244371

SCHEMBL9244371

CCCCN1CN(c2ccc(N(CC)CC)cc2)CN(c2ccc(N(CC)CC)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 8/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GFER P55789 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
ALOX12 P18054 1/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PSMD14 O00487 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 5/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL9871286 0.86 KDM4E (0.41) KDM4EGAAALDH1A1TDP1RAB9A
SCHEMBL9241824 0.81 MAPT (0.54) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL9245105 0.80 MEN1 (0.35) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL9240813 0.78 SIGMAR1 (0.53) ALDH1A1RAB9ACYP3A4MAPTSMN1; SMN2
SCHEMBL9238134 0.76 ATM (0.51) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL9241807 0.73 GAA (0.38) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL9244927 0.73 DRD2 (0.40) KDM4EGAAALDH1A1KMT2ATSHR
SCHEMBL9241135 0.73 HRH2 (0.43) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL19562044 0.71 MAP4K1 (0.54) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL9551175 0.71 SIGMAR1 (0.45) MEN1KMT2AMAPTHTR7

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-0278890-B1 Non-staining and slightly-staining antiozonants GOODYEAR TIRE & RUBBER (US) 1995-05-24 EP claimed
EP-0278890-B1 Non-staining and slightly-staining antiozonants GOODYEAR TIRE & RUBBER (US) 1995-05-24 EP disclosed
US-5019611-A Tetrahydrotriazinethiones THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-05-28 US disclosed