SCHEMBL29109904

SCHEMBL29109904

CNCc1ccc(CN(C)CCOC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.45
▸ TSHR P16473 1/20 0.43
▸ BRAF P15056 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ F10 P00742 1/20 0.38
▸ MAOB P27338 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ CARM1 Q86X55 1/20 0.37
▸ PRMT6 Q96LA8 1/20 0.37
▸ PRMT8 Q9NR22 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PIK3CD O00329 1/20 0.36

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
SCHEMBL14007417 0.81 KDM4E (0.50) TMEM97SIGMAR1LOXL2KDM4ECYP3A4
SCHEMBL12474 0.80 PYCR1 (0.50) LTA4HTSHRBRAFKDM4ESMN1; SMN2
SCHEMBL3044715 0.79 TSHR (0.45) LTA4HTSHRBRAFSIGMAR1SMN1; SMN2
SCHEMBL16549287 0.79 MEN1 (0.52) LTA4HTSHRTMEM97SIGMAR1KDM4E
SCHEMBL1239426 0.79 KDM4E (0.59) LTA4HTSHRBRAFTMEM97SIGMAR1
SCHEMBL3151763 0.79 LTA4H (0.47) LTA4HTSHRBRAFSIGMAR1KDM4E
SCHEMBL615516 0.78 TSHR (0.65) LTA4HTSHRSIGMAR1SMN1; SMN2MAOB
SCHEMBL26012094 0.76 LTA4H (0.45) LTA4HTSHRBRAFSMN1; SMN2F10
SCHEMBL12449593 0.76 SIGMAR1 (0.47) LTA4HTSHRBRAFTMEM97SIGMAR1
SCHEMBL23560372 0.75 KDM4E (0.39) TMEM97SIGMAR1LOXL2KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4288438-A1 DERIVATIVES OF IMIDAZO[4,5-D]PYRIDAZINE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Sanofi (FR) 2023-12-13 — — EP disclosed
CN-117098761-A Imidazo [4,5-d ] pyridazine derivatives, preparation thereof and therapeutic use thereof 赛诺菲 2023-11-21 — — CN disclosed
WO-2022167438-A1 DERIVATIVES OF IMIDAZO[4,5-d]PYRIDAZINE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2022-08-11 — — WO disclosed
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