SCHEMBL7092406

SCHEMBL7092406

CCNCCCCNCCCCCCNCCCCNCC

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.87
CYP1A2 P05177 2/20 0.87
MEN1 O00255 2/20 0.80
KMT2A Q03164 2/20 0.80
GLA P06280 1/20 0.80
KDM1A O60341 5/20 0.65
TSHR P16473 2/20 0.65
ALDH1A1 P00352 1/20 0.59
SAT1 P21673 3/20 0.55
TP53 P04637 1/20 0.47
CA12 O43570 1/20 0.42
F13A1 P00488 1/20 0.42
CA2 P00918 1/20 0.42
ALOX15 P16050 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
THPO P40225 1/20 0.42
CASP2 P42575 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL7097560 1.00 CYP2C19 (0.87) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL7097471 1.00 CYP2C19 (0.87) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL7091884 1.00 CYP2C19 (0.87) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL7096788 1.00 CYP2C19 (0.87) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL7095064 1.00 CYP2C19 (0.87) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL7513770 1.00 CYP2C19 (0.87) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL6705603 1.00 CYP2C19 (0.87) CYP2C19CYP1A2MEN1KMT2AGLA
Hydrochloric Acid SCHEMBL7513333 0.97 CYP2C19 (0.81) CYP2C19CYP1A2MEN1KMT2AGLA
Hydrochloric Acid SCHEMBL7520765 0.97 CYP2C19 (0.81) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL10045209 0.97 CYP2C19 (0.93) CYP2C19CYP1A2MEN1KMT2AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605645-B2 Such as 1,15-di(cyclopropylmethylamino)-8-benzyl-4,8,12-triazapentadecane; carcinostatic action RIKEN (JP) 2003-08-12 US disclosed
US-20030073202-A1 RNA polymerase transcription promoter and nucleic acid sequencing method IWATA MASAAKI (JP) 2003-04-17 US disclosed
US-20020067472-A1 Linear polyamine compounds and polyamine anticancer agents IWATA MASAAKI (JP) 2002-06-06 US disclosed
US-6319956-B1 N1, N4-BIS(CYCLOPROPYLMETHYLAMINO)TRIALKYLENETETRAMINES THAT MAY BE TOLUENESULFONATED. RIKEN (JP) 2001-11-20 US disclosed
EP-1061130-A1 RNA POLYMERASE TRANSCRIPTION PROMOTERS AND METHOD FOR DETERMINING BASE SEQUENCE Riken (JP) 2000-12-20 EP disclosed