SCHEMBL19952852

SCHEMBL19952852

C=CCc1c(N)ccc(N)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ALDH1A1 P00352 6/20 0.35
TDP1 Q9NUW8 6/20 0.35
CYP3A4 P08684 3/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 2/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL8468779 0.78 HTT (0.33) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL11668086 0.76 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1TDP1CYP3A4
SCHEMBL845635 0.76 IMPDH2 (0.53) IMPDH2MEN1KMT2AALDH1A1CYP3A4
SCHEMBL77335 0.76 POLB (0.46) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL3874226 0.73 MEN1 (0.36) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL27832802 0.73 MEN1 (0.53) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL2948263 0.73 KMT2A (0.37) IMPDH2MEN1KMT2AUSP2KEAP1
SCHEMBL11864642 0.73 MAPT (0.37) KMT2AALDH1A1MAPTPOLB
SCHEMBL1933923 0.73 TSHR (0.47) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL10917170 0.71 TDP1 (0.39) IMPDH2MEN1KMT2AALDH1A1TDP1

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
WO-2018048924-A1 GEL NETWORK HAIR TREATMENT COMPOSITIONS WITH REDUCED ODOR NOXELL CORPORATION (US) 2018-03-15 WO disclosed