SCHEMBL14899767

SCHEMBL14899767

CCCCc1c(N2CCN(SC(C)C)CC2)cnn(-c2cc(F)cc(F)c2)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.34
▸ BRD9 Q9H8M2 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ BRD7 Q9NPI1 1/20 0.34
▸ CYP2C19 P33261 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32
▸ SLC2A3 P11169 1/20 0.32
▸ CYP3A4 P08684 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
SCHEMBL11943804 0.84 MAPT (0.41) MAPTBRD9CA12CA1CA2
SCHEMBL14899732 0.82 BRD9 (0.45) MAPTBRD9CA12CA1CA2
SCHEMBL17057943 0.82 ALDH1A1 (0.36) MAPTCA12CA1CA2CA9
SCHEMBL17058085 0.81 MCHR1 (0.37) MAPTCA12CA1CA2CA9
SCHEMBL11943690 0.81 CYP17A1 (0.40) MAPTBRD9CA12CA1CA2
SCHEMBL11943800 0.81 CYP17A1 (0.40) MAPTBRD9CA12CA1CA2
SCHEMBL11943806 0.80 MAPT (0.41) MAPTBRD9CA12CA1CA2
SCHEMBL14899763 0.79 NOS2 (0.38) MAPTBRD9CYP2C19RAB9ANPC1
SCHEMBL14081366 0.79 CNR2 (0.33) MAPTBRD9CA12CA1CA2
SCHEMBL11943810 0.77 MAPT (0.40) MAPTBRD9CA12CA1CA2

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-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 — — EP disclosed
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