SCHEMBL9342930

SCHEMBL9342930

NC(=O)C1=COc2c(ccc3ccccc23)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYB P10242 2/20 0.57
▸ MAPT P10636 5/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ DUSP3 P51452 1/20 0.41
▸ PTPN5 P54829 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TNF P01375 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL8543444 0.82 MYB (0.70) MYBMAPTHTTSMN1; SMN2LMNA
SCHEMBL8542128 0.72 MYB (1.00) MYBMAPTLMNAMEN1KMT2A
SCHEMBL8543812 0.72 MEN1 (0.67) MYBMAPTLMNAMEN1KMT2A
SCHEMBL8541683 0.72 MYB (0.67) MYBMAPTHTTSMN1; SMN2LMNA
SCHEMBL9343227 0.71 MYB (0.70) MYBMAPTSMN1; SMN2LMNAMEN1
SCHEMBL8541677 0.71 MYB (0.66) MYBMAPTHTTSMN1; SMN2LMNA
SCHEMBL8810542 0.69 MYB (0.74) MYBMAPTLMNAMEN1KMT2A
SCHEMBL10275382 0.69 MYB (0.74) MYBMAPTLMNAMEN1KMT2A
SCHEMBL10275379 0.69 MYB (0.74) MYBMAPTLMNAMEN1KMT2A
SCHEMBL8813293 0.68 MYB (0.55) MYBMAPTHTTSMN1; 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
US-5281619-A Administering naphtho(1,2-B)pyran derivatives ELI LILLY AND COMPANY (US) 1994-01-25 — — US disclosed
Send feedback