SCHEMBL9843175

SCHEMBL9843175

C[N+](C)=C(NCc1ccc(Cl)nc1)N[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
NAMPT P43490 2/20 0.42
CYP2C9 P11712 2/20 0.42
FAAH O00519 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DCTPP1 Q9H773 1/20 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
SCHEMBL7795446 0.81 CHRNB2 (0.44) CHRNB2CHRNA4NAMPTCYP2C9FAAH
SCHEMBL9727921 0.81 CHRNB2 (0.42) CHRNB2CHRNA4NAMPTCYP2C9FAAH
SCHEMBL7664015 0.76 ALDH1A1 (0.43) CHRNB2CHRNA4NAMPTCYP2C9FAAH
SCHEMBL8404155 0.76 ALDH1A1 (0.43) CHRNB2CHRNA4NAMPTCYP2C9FAAH
SCHEMBL9843165 0.75 RECQL (0.40) ALDH1A1KDM4EGAAL3MBTL1MAPT
SCHEMBL7663609 0.74 CYP2C9 (0.44) CHRNB2CHRNA4NAMPTCYP2C9FAAH
SCHEMBL7639531 0.74 NAMPT (0.44) CHRNB2CHRNA4NAMPTCYP2C9FAAH
SCHEMBL9047024 0.73 FPR2 (0.44) CHRNB2CHRNA4NAMPTCYP2C9FAAH
SCHEMBL9047032 0.73 FPR2 (0.44) CHRNB2CHRNA4NAMPTCYP2C9FAAH
SCHEMBL7036877 0.73 ALDH1A1 (0.41) CHRNB2CHRNA4NAMPTCYP2C9FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0418199-A2 Guanidine derivatives CIBA-GEIGY AG (CH) 1991-03-20 EP claimed
EP-0418199-A2 Guanidine derivatives CIBA-GEIGY AG (CH) 1991-03-20 EP disclosed