SCHEMBL11313633

SCHEMBL11313633

CCCCCCCCN(CCCCCCCC)CCCNC(=N)N

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DNM1 Q05193 1/20 0.41
SPHK1 Q9NYA1 4/20 0.41
SPHK2 Q9NRA0 1/20 0.41
EPHX1 P07099 6/20 0.39
KDM5A P29375 2/20 0.38
PHF8 Q9UPP1 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
NAAA Q02083 1/20 0.38
ALB P02768 2/20 0.37
CASP2 P42575 1/20 0.36
ICMT O60725 1/20 0.36

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
SCHEMBL11321528 1.00 MEN1 (0.42) MEN1CYP1A2KMT2ASMN1; SMN2DNM1
Hydrochloric Acid SCHEMBL5533556 0.98 SPHK1 (0.43) MEN1CYP1A2KMT2ASMN1; SMN2DNM1
SCHEMBL11330434 0.93 MEN1 (0.38) MEN1CYP1A2KMT2ASMN1; SMN2DNM1
SCHEMBL11314833 0.93 MEN1 (0.38) MEN1CYP1A2KMT2ASMN1; SMN2DNM1
SCHEMBL5158754 0.92 MEN1 (0.40) MEN1CYP1A2KMT2ASMN1; SMN2DNM1
Sulfuric Acid SCHEMBL11320954 0.92 ALOX15 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2DNM1
Sulfuric Acid SCHEMBL11317132 0.92 ALOX15 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2DNM1
Acetic Acid SCHEMBL11315452 0.92 KDM5A (0.43) DNM1SPHK1EPHX1KDM5APHF8
Acetic Acid SCHEMBL11325664 0.92 KDM5A (0.43) DNM1SPHK1EPHX1KDM5APHF8
SCHEMBL10065909 0.91 EPHX2 (0.45) MEN1CYP1A2KMT2A

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
US-4271190-A Guanidinium salts, processes for their manufacture as well as microbicidal preparations containing these compounds TH. GOLDSCHMIDT AG (DE) 1981-06-02 US disclosed