SCHEMBL20817113

SCHEMBL20817113

[N-]=[N+]=N[C@@H](CO)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ LMNA P02545 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MARS2 Q96GW9 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 4/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RPLP1 P05386 1/20 0.39
▸ RPLP0 P05388 1/20 0.39
▸ RPS17 P08708 1/20 0.39
▸ RPSA P08865 1/20 0.39
▸ RPS2 P15880 1/20 0.39
▸ RPL35A P18077 1/20 0.39
▸ RPL7 P18124 1/20 0.39
▸ RPL17 P18621 1/20 0.39
▸ RPS4Y1 P22090 1/20 0.39
▸ RPS3 P23396 1/20 0.39

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
SCHEMBL17927290 0.82 ACP3 (0.48) ALDH1A1LMNATSHRSMN1; SMN2MAPT
SCHEMBL28353118 0.81 MEN1 (0.52) ALDH1A1LMNATSHRCYP3A4SMN1; SMN2
SCHEMBL14270314 0.81 MEN1 (0.52) ALDH1A1LMNATSHRCYP3A4SMN1; SMN2
SCHEMBL16788837 0.76 LMNA (0.47) ALDH1A1LMNATSHRCYP2C19MAPT
SCHEMBL14022413 0.76 LMNA (0.47) ALDH1A1LMNATSHRCYP2C19MAPT
SCHEMBL14270275 0.76 LMNA (0.47) ALDH1A1LMNATSHRCYP2C19MAPT
SCHEMBL19435775 0.76 PDE2A (0.51) ALDH1A1TSHRCYP3A4KDM4EMAPT
SCHEMBL15418479 0.75 LMNA (0.34) LMNATSHRCYP3A4SMN1; SMN2CYP2C19
SCHEMBL14270127 0.75 CES1 (0.45) ALDH1A1LMNATSHRKDM4EMAPT
SCHEMBL15382013 0.74 NOS3 (0.41) LMNACYP2C19ATML3MBTL1

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-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 — — EP disclosed
WO-2019055754-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN, INC. (US) 2019-03-21 — — WO disclosed
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