SCHEMBL27932073

SCHEMBL27932073

[CH2]C(O)c1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ NOTUM Q6P988 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ EPHX1 P07099 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALKBH5 Q6P6C2 1/20 0.35
▸ ADRB2 P07550 4/20 0.34
▸ TMPRSS4 Q9NRS4 1/20 0.34
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32

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
SCHEMBL29509445 0.81 MAPT (0.39) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL16959210 0.81 NOTUM (0.37) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL17711265 0.81 MAPT (0.39) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL16950326 0.81 ADRB2 (0.40) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL16961809 0.80 NOTUM (0.36) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL17719392 0.79 MAPT (0.37) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL15532524 0.77 MAPT (0.46) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL1104689 0.77 NOTUM (0.39) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL28797544 0.76 P2RX7 (0.40) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL20515829 0.76 NOTUM (0.38) MAPTMEN1KMT2ANPSR1LMNA

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
CN-103261198-A 2-arylimidazo[1,2-]pyridazine, 2-phenylimidazo[1,2-a]pyridine, and 2-phenylimidazo[1,2-a]pyrazine derivatives JIANGSU HENGRUI MEDICINE CO 2013-08-21 — — CN claimed
CN-103261198-A 2-arylimidazo[1,2-]pyridazine, 2-phenylimidazo[1,2-a]pyridine, and 2-phenylimidazo[1,2-a]pyrazine derivatives JIANGSU HENGRUI MEDICINE CO 2013-08-21 — — CN disclosed
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