SCHEMBL30908417

SCHEMBL30908417

CCOC(=O)c1c([N+](=O)[O-])cnn1C(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ MAPT P10636 5/20 0.44
▸ POLB P06746 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ GALR2 O43603 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ GSTP1 P09211 1/20 0.41
▸ GSTM2 P28161 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ CRHBP P24387 1/20 0.40

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
SCHEMBL7457873 0.81 ALDH1A1 (0.54) ALDH1A1MAPTPOLBHPGDKDM4E
SCHEMBL7513902 0.80 SMN1; SMN2 (0.58) ALDH1A1MAPTPOLBSMN1; SMN2HPGD
SCHEMBL30908489 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HPGDLMNAKDM4E
SCHEMBL15520734 0.78 ALDH1A1 (0.45) ALDH1A1MAPTPOLBSMN1; SMN2HPGD
SCHEMBL29777618 0.75 ALDH1A1 (0.49) ALDH1A1MAPTPOLBSMN1; SMN2HPGD
SCHEMBL7451772 0.75 ALDH1A1 (0.46) ALDH1A1MAPTPOLBSMN1; SMN2HPGD
SCHEMBL29159122 0.75 TDP1 (0.40) MAPTPOLBHPGDKDM4EKMT2A
SCHEMBL7455786 0.74 ALDH1A1 (0.48) ALDH1A1MAPTPOLBSMN1; SMN2HPGD
SCHEMBL20023765 0.74 TDP1 (0.42) ALDH1A1POLBSMN1; SMN2HPGDKDM4E
SCHEMBL26120935 0.74 POLB (0.40) ALDH1A1MAPTPOLBSMN1; SMN2LMNA

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
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 — — WO disclosed
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