SCHEMBL21233271

SCHEMBL21233271

Cn1ncc(-c2c[nH]cn2)c1I

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL21240976 0.80 CYP11B2 (0.40) ALDH1A1
SCHEMBL22952414 0.76 KDM4E (0.33) ALDH1A1
SCHEMBL31424344 0.67 ALDH1A1 (0.32) ALDH1A1
SCHEMBL27157217 0.64 KDM4E (0.40) ALDH1A1
SCHEMBL21233160 0.63 COMT (0.51) ALDH1A1
SCHEMBL14858506 0.63 KDM5B (0.47)
SCHEMBL17624320 0.62
Hydrochloric Acid SCHEMBL15348732 0.62 KDM5B (0.46)
Hydrochloric Acid SCHEMBL2693396 0.62 KDM5B (0.46)
Hydrochloric Acid SCHEMBL27157219 0.62 MASTL (0.31)

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-2019148851-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUND AND DERIVATIVES THEREOF, PREPARATION METHOD, HERBICIDAL COMPOSITION, AND APPLICATION 青岛清原化合物有限公司 2019-08-08 WO disclosed