SCHEMBL21442572

SCHEMBL21442572

CCCCc1ccc(/C=C/c2cnn(C(C)(C)C)c(=O)c2O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GALR3 O60755 1/20 0.35
▸ NR2F2 P24468 1/20 0.35
▸ GPR183 P32249 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.35
▸ SPHK1 Q9NYA1 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL21511091 0.69 MEN1 (0.73) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL21442503 0.67 SMN1; SMN2 (0.41) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL20159034 0.67 SMN1; SMN2 (0.46) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL16901934 0.67 SMN1; SMN2 (0.57) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL12722375 0.66 MEN1 (0.71) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL9096210 0.65 MEN1 (0.70) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL4454097 0.65 ALDH1A1 (0.47) HPGDNPC1RAB9ACYP3A4CYP2D6
SCHEMBL3477950 0.65 RARB (0.55) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL3477945 0.65 RARB (0.55) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL7538660 0.63 HSD11B1 (0.49) HPGDCYP3A4CYP2D6CYP2C9SPHK1

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-2882719-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS IMAGING AGENTS FOR DETECTING MYOCARDIAL PERFUSION LANTHEUS MEDICAL IMAGING INC (US) 2019-10-09 — — EP disclosed
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