SCHEMBL8538104

SCHEMBL8538104

CSCc1c(-c2ncc[nH]2)cccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
CSNK1A1 P48729 1/20 0.37
TYRO3 Q06418 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
MC4R P32245 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
PDE10A Q9Y233 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8537581 0.80 CYP1A2 (0.37) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8539285 0.80 TAAR1 (0.50) ALDH1A1MEN1KMT2ACSNK1A1TYRO3
SCHEMBL1303527 0.78 CSNK1A1 (0.50) ALDH1A1MEN1KMT2AMAPTCSNK1A1
SCHEMBL8538728 0.78 MC4R (0.51) ALDH1A1MEN1KMT2ACSNK1A1TYRO3
SCHEMBL8539281 0.78 MC4R (0.38) ALDH1A1MEN1KMT2ACSNK1A1TYRO3
SCHEMBL8536051 0.78 CSNK1A1 (0.41) ALDH1A1MEN1KMT2ACSNK1A1TYRO3
SCHEMBL31753360 0.76 CSNK1A1 (0.42) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL30163620 0.76 TDP1 (0.42) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8537087 0.71 CSNK1A1 (0.45) ALDH1A1MEN1KMT2ACSNK1A1TYRO3
SCHEMBL8540657 0.70 TSHR (0.47) ALDH1A1MEN1KMT2AMAPTPOLB

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-0857171-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-12 EP disclosed
WO-1997015555-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed