SCHEMBL11611366

SCHEMBL11611366

CSc1c[nH]c2cccc([N+](=O)[O-])c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.43
BACE1 P56817 2/20 0.43
TDP1 Q9NUW8 3/20 0.42
NOS1 P29475 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL395905 0.82 TDP1 (0.50) CLK1BACE1TDP1NOS1KMT2A
SCHEMBL29811443 0.82 TDP1 (0.50) CLK1BACE1TDP1NOS1KMT2A
SCHEMBL31490965 0.81 CLK1 (0.41) CLK1BACE1TDP1NOS1KMT2A
SCHEMBL28784022 0.76 CLK1 (0.46) CLK1BACE1TDP1NOS1KMT2A
SCHEMBL3786029 0.76 CLK1 (0.46) CLK1BACE1TDP1NOS1KMT2A
SCHEMBL6583553 0.76 CLK1 (0.46) CLK1BACE1TDP1NOS1KMT2A
SCHEMBL1943316 0.76 CLK1 (0.46) CLK1BACE1TDP1NOS1KMT2A
SCHEMBL29236563 0.76 CLK1 (0.55) CLK1BACE1TDP1NOS1KMT2A
SCHEMBL2029263 0.75 TSHR (0.46) CLK1BACE1TDP1NOS1KMT2A
SCHEMBL24735662 0.74 PBRM1 (0.53) CLK1BACE1TDP1KMT2AMEN1

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
US-4101583-A Alpha-methylthio-alpha-(2-aminophenyl) acetaldehyde diloweralkyl acetals THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1978-07-18 US disclosed
US-4080341-A Carbazolenine and indole compounds THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1978-03-21 US disclosed
US-4067875-A Certain N-phenyl or N-pyridyl aza sulfonium salts THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1978-01-10 US disclosed
US-3992392-A Synthesis of indoles from anilines and intermediates therein THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1976-11-16 US disclosed