SCHEMBL8601412

SCHEMBL8601412

C[C]1C=C(N)[C](C)C=C1N

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.33
ALDH1A1 P00352 2/20 0.33
ACHE P22303 1/20 0.32
CYP3A4 P08684 3/20 0.30
MAPK1 P28482 1/20 0.30
PIK3CA P42336 1/20 0.30
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL17581119 0.61
SCHEMBL8619911 0.51
SCHEMBL9524726 0.50
SCHEMBL15926028 0.48 POLB (0.37) TSHRALDH1A1CYP3A4PIK3CATP53
SCHEMBL6568058 0.48 POLB (0.37) TSHRALDH1A1CYP3A4PIK3CATP53
SCHEMBL263364 0.48 POLB (0.37) TSHRALDH1A1CYP3A4PIK3CATP53
Hydrochloric Acid SCHEMBL6865152 0.46 POLB (0.35) TSHRALDH1A1CYP3A4PIK3CATP53
SCHEMBL392463 0.46 POLB (0.35) TSHRALDH1A1CYP3A4PIK3CATP53
Hydrochloric Acid SCHEMBL4059263 0.46 POLB (0.35) TSHRALDH1A1CYP3A4PIK3CATP53
SCHEMBL4160455 0.46 ALDH1A1 (0.44) TSHRALDH1A1ACHECYP3A4TDP1

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-0633915-B1 A METHOD AND LIQUID COMPOSITION FOR THE PRODUCTION OF INDELIBLE SCRIPT ON A PAPER SUBSTRATE SEGALLA GABRIELE (IT) 1998-02-04 EP disclosed
US-5637354-A USING OXIDATIVE FIBER REACTIVE DYE SEGALLA GABRIELE (IT) 1997-06-10 US disclosed
EP-0633915-A1 A METHOD AND LIQUID COMPOSITION FOR THE PRODUCTION OF INDELIBLE SCRIPT ON A PAPER SUBSTRATE SEGALLA, Gabriele (IT) 1995-01-18 EP disclosed
WO-1993020160-A1 A METHOD AND LIQUID COMPOSITION FOR THE PRODUCTION OF INDELIBLE SCRIPT ON A PAPER SUBSTRATE SEGALLA GABRIELE (IT) 1993-10-14 WO disclosed