SCHEMBL8545701

SCHEMBL8545701

N#CC1=C(NC(=O)CCC(=O)O)Oc2c(ccc3ccccc23)C1c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MYB P10242 10/20 0.52
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP2C19 P33261 3/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TNF P01375 1/20 0.40
NOD1 Q9Y239 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
SCHEMBL8545703 1.00 MYB (0.52) MYBSMN1; SMN2KMT2ACYP2C19LMNA
SCHEMBL8539142 0.84 MYB (0.61) MYBSMN1; SMN2KMT2ALMNACYP1A2
SCHEMBL8539335 0.81 MYB (0.75) MYBKMT2ALMNACYP1A2MEN1
SCHEMBL8538222 0.78 MYB (0.61) MYBSMN1; SMN2KMT2ALMNACYP1A2
SCHEMBL8540789 0.75 MYB (0.55) MYBSMN1; SMN2KMT2ALMNACYP1A2
SCHEMBL9343227 0.75 MYB (0.70) MYBSMN1; SMN2KMT2ACYP2C19LMNA
SCHEMBL8542563 0.74 MYB (0.57) MYBSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL8542568 0.74 MYB (0.57) MYBSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL8540958 0.70 MYB (0.75) MYBKMT2ALMNACYP1A2MEN1
SCHEMBL10275379 0.70 MYB (0.74) MYBKMT2ALMNACYP1A2MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537949-B1 Antiproliferative derivatives of 4H-naphtho 1,2-b pyran LILLY CO ELI (GB) 1998-07-01 EP disclosed
US-5284868-A Naphthopyran derivatives; for autoimmune diseases, cancer ELI LILLY AND COMPANY (US) 1994-02-08 US disclosed
US-5281619-A Administering naphtho(1,2-B)pyran derivatives ELI LILLY AND COMPANY (US) 1994-01-25 US disclosed
EP-0537949-A1 Antiproliferative derivatives of 4H-naphtho 1,2-b pyran LILLY INDUSTRIES LIMITED (GB) 1993-04-21 EP disclosed