SCHEMBL22044394

SCHEMBL22044394

COc1ccc(/C(N)=N/N=C\N)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.45
▸ ALOX15 P16050 1/20 0.43
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ TAS1R3 Q7RTX0 5/20 0.41
▸ TAS1R1 Q7RTX1 5/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAOB P27338 1/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL24022845 0.84 RAB9A (0.50) RECQLPDE4APDE4BPDE4CPDE4D
SCHEMBL24022749 0.82 PRSS1 (0.48) MAPTRAB9ANPC1POLBLMNA
SCHEMBL6608276 0.79 RECQL (0.70) RECQLALOX15PDE4APDE4BPDE4C
SCHEMBL24022830 0.77 MKNK1 (0.38) PDE4DMAPTRAB9ANPC1LMNA
SCHEMBL22044268 0.77 ACHE (0.47) RECQLMAPTRAB9ANPC1POLB
SCHEMBL24022848 0.75 HDAC1 (0.50) MAPTRAB9ANPC1LMNATSHR
SCHEMBL24039027 0.74 NEU3 (0.48) MAPTRAB9ANPC1TSHR
SCHEMBL22043779 0.73 CYP2D6 (0.47) MAPTRAB9ANPC1POLBLMNA
SCHEMBL15947332 0.72 ALOX15 (0.60) RECQLALOX15PDE4APDE4BPDE4C
SCHEMBL17833298 0.72 ALOX15 (0.51) RECQLALOX15PDE4APDE4BPDE4C

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
WO-2021228992-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY RIGSHOSPITALET (DK) 2021-11-18 — — WO disclosed
WO-2020108720-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING Københavns Universitet (DK) 2020-06-04 — — WO disclosed
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