SCHEMBL11573574

SCHEMBL11573574

CCCCCC(C)NC(=O)N=C(N)NCCN1CCN(CCNC(N)=NC(=O)NC(C)CCCCC)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.40
▸ GNAI3 P08754 2/20 0.39
▸ GNAO1 P09471 2/20 0.39
▸ GNAI1 P63096 2/20 0.39
▸ MMP3 P08254 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ FPR3 P25089 2/20 0.36
▸ FPR2 P25090 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ TLR2 O60603 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL11501586 0.79 DNM1 (0.36) GNAI3GNAO1GNAI1SMN1; SMN2CYP2C19
Ipexidine SCHEMBL11468017 0.76 GNAI3 (0.52) USP2GNAI3GNAO1GNAI1KDM4E
SCHEMBL11575634 0.71 USP2 (0.52) USP2GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL11572940 0.70 GNAI3 (0.43) GNAI3GNAO1GNAI1
SCHEMBL11573567 0.68 USP2 (0.37) USP2GNAI3GNAO1GNAI1MMP3
SCHEMBL13756012 0.68 KDM4E (0.50) USP2KDM4EALDH1A1FPR3FPR2
SCHEMBL9683898 0.67 ADH1B (0.47) TP53MEN1KMT2A
SCHEMBL18596029 0.67 ADH1B (0.47) TP53MEN1KMT2A
SCHEMBL9252302 0.66 ADH1B (0.50) TP53MEN1KMT2A
SCHEMBL11681448 0.66 ADH1B (0.50) TP53MEN1KMT2A

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-4110328-A Bis-carbamylguanidinoazaalkane antimicrobial compounds COOPER LABORATORIES, INC. (US) 1978-08-29 — — US claimed
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