SCHEMBL27339458

SCHEMBL27339458

COC(=O)C(NC(=N)N)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.39
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
F7 P08709 1/20 0.34
CCR3 P51677 1/20 0.34
PTPRB P23467 1/20 0.34
CTSA P10619 5/20 0.33
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
BMPR1B O00238 1/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
GAK O14976 1/20 0.33
EPHB6 O15197 1/20 0.33
RIPK2 O43353 1/20 0.33
STK10 O94804 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33

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
SCHEMBL27340709 0.88 PKM (0.44) ALDH1A1PKMF7CTSARAB9A
SCHEMBL27341996 0.85 L3MBTL1 (0.40) ALDH1A1PKMF7CCR3CTSA
SCHEMBL27527359 0.85 HTT (0.38) ALDH1A1PKMF7CCR3CTSA
SCHEMBL27342606 0.83 KMT2A (0.39) ALDH1A1PKMF7CCR3CTSA
SCHEMBL27357659 0.82 F7 (0.33) ALDH1A1PKMF7CCR3RAB9A
SCHEMBL11188437 0.77 ALDH1A1 (0.36) TACR3ALDH1A1PKMPTPRBCTSA
SCHEMBL27641754 0.76 ALDH1A1 (0.42) ALDH1A1PKMCTSARAB9ANPC1
SCHEMBL27815004 0.75 ALDH1A1 (0.43) ALDH1A1PKMCTSARAB9ANPC1
Hydrochloric Acid SCHEMBL5247586 0.74 ALDH1A1 (0.42) ALDH1A1PKMCTSARAB9ANPC1
SCHEMBL2949467 0.72 ALDH1A1 (0.40) ALDH1A1PKMPTPRBCTSARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1046286-C Novel cephem derivatives MEIJI SEIKA CO (JP) 1999-11-10 CN disclosed
CN-1114507-A Novel cephem derivatives MEIJI SEIKA CO (JP) 1996-01-03 CN disclosed
CN-1051562-A Novel compound BEECHAM GROUP PLC (GB) 1991-05-22 CN disclosed
CN-1042907-A Herbicidal composition ICI PLC (GB) 1990-06-13 CN disclosed