SCHEMBL19443267

SCHEMBL19443267

CCCCOC(=O)C(N)CN=[N+]=[N-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ ATM Q13315 1/20 0.38
▸ TSHR P16473 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ P2RY10 O00398 4/20 0.33
▸ GPR34 Q9UPC5 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ MAPT P10636 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
SCHEMBL28874060 0.75 — —
SCHEMBL30373183 0.75 ALDH1A1 (0.46) ALDH1A1ATMHPGDLMNARAB9A
SCHEMBL2734881 0.75 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDNOD1
SCHEMBL2734865 0.75 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDNOD1
SCHEMBL14851229 0.74 ALDH1A1 (0.40) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL14502551 0.74 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDNOD1
SCHEMBL8407945 0.74 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDNOD1
SCHEMBL14045336 0.73 ALDH1A1 (0.38) ALDH1A1ATMTSHRHPGDNAAA
SCHEMBL1097461 0.73 NOD1 (0.50) ALDH1A1ATMTSHRHPGDNOD1
SCHEMBL4957809 0.73 NOD1 (0.50) ALDH1A1ATMTSHRHPGDNOD1

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
EP-3228325-A1 PROTEIN-POLYMER-DRUG CONJUGATES Mersana Therapeutics, Inc. (US) 2017-10-11 — — EP disclosed
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