SCHEMBL11021347

SCHEMBL11021347

CN1N=C(/C=C/c2ccc(-n3ccnc3)s2)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ PKM P14618 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ PDE3B Q13370 4/20 0.39
▸ PDE3A Q14432 4/20 0.39
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CRBN Q96SW2 2/20 0.30
▸ TBXAS1 P24557 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL11021355 1.00 RAB9A (0.49) RAB9ASMN1; SMN2PKMRECQLNPC1
SCHEMBL11015933 0.80 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2PKMRECQLNPC1
SCHEMBL11015932 0.80 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2PKMRECQLNPC1
SCHEMBL10727551 0.78 PDE3B (0.36) RAB9ASMN1; SMN2PKMRECQLNPC1
SCHEMBL11020084 0.78 RAB9A (0.45) RAB9ASMN1; SMN2PKMRECQLNPC1
SCHEMBL11020085 0.78 RAB9A (0.45) RAB9ASMN1; SMN2PKMRECQLNPC1
SCHEMBL11017552 0.77 PDE3B (0.65) RAB9ASMN1; SMN2PKMNPC1PDE3B
SCHEMBL11017553 0.77 PDE3B (0.65) RAB9ASMN1; SMN2PKMNPC1PDE3B
SCHEMBL11020974 0.71 PDE3B (0.52) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL11020978 0.71 PDE3B (0.52) PDE3BPDE3ALMNACYP1A2CYP3A4

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-0150463-A1 Substituted 4.5-dihydro-6-vinyl-3(2H)-pyridazinones and 6-vinyl-3(2H)-pyridazinones and process for producing the same A. Nattermann & Cie. GmbH (DE) 1985-08-07 — — EP disclosed
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