SCHEMBL17057805

SCHEMBL17057805

CCN1CCN(c2cnn(-c3cc(C)cc(F)c3)c(=O)c2OC2Cc3ccccc3C2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TSHR P16473 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ NPBWR1 P48145 3/20 0.33
▸ NPC1 O15118 4/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ SLC2A1 P11166 1/20 0.32
▸ SLC2A3 P11169 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ DCTPP1 Q9H773 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL11944533 0.83 ALDH1A1 (0.47) SMN1; SMN2LMNAPOLBKMT2ATSHR
SCHEMBL17058094 0.82 ALDH1A1 (0.36) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058115 0.82 SMN1; SMN2 (0.36) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL11944507 0.81 ALDH1A1 (0.37) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17057887 0.81 DCTPP1 (0.49) SMN1; SMN2LMNAPOLBKMT2ANPBWR1
SCHEMBL17058068 0.78 HTR1A (0.39) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058358 0.77 CA12 (0.39) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL11944387 0.77 POLB (0.41) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL11944857 0.77 POLB (0.41) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL14899768 0.76 HTR6 (0.35) SMN1; SMN2LMNAPOLBKMT2ANPBWR1

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-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
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