SCHEMBL8539142

SCHEMBL8539142

CNC1=C(C#N)C(c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc3ccccc3c2O1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MYB P10242 16/20 0.61
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.44

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
SCHEMBL8539335 0.87 MYB (0.75) MYBLMNAKMT2ACYP1A2
SCHEMBL8538222 0.86 MYB (0.61) MYBALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL8545703 0.84 MYB (0.52) MYBALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL8545701 0.84 MYB (0.52) MYBALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL8540789 0.81 MYB (0.55) MYBALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL8542563 0.80 MYB (0.57) MYBALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL8542568 0.80 MYB (0.57) MYBALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL8540958 0.76 MYB (0.75) MYBLMNAKMT2ACYP1A2
SCHEMBL10275379 0.75 MYB (0.74) MYBALDH1A1LMNAKMT2ACYP1A2
SCHEMBL10275382 0.75 MYB (0.74) MYBALDH1A1LMNAKMT2ACYP1A2

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