SCHEMBL8942092

SCHEMBL8942092

CC(O)OC(C)Oc1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 6/20 0.40
CYP3A4 P08684 2/20 0.40
PARP10 Q53GL7 2/20 0.40
TSHR P16473 2/20 0.39
TEAD4 Q15561 1/20 0.38
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
NR4A1 P22736 1/20 0.34
APP P05067 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5635955 0.83 TDP1 (0.48) TDP1MAPK1ALDH1A1CYP3A4PARP10
SCHEMBL2881391 0.83 TDP1 (0.52) TDP1MAPK1ALDH1A1CYP3A4PARP10
SCHEMBL11510047 0.82 TDP1 (0.48) TDP1MAPK1ALDH1A1CYP3A4TSHR
Hydrochloric Acid SCHEMBL28601093 0.81 TDP1 (0.50) TDP1MAPK1ALDH1A1CYP3A4PARP10
SCHEMBL2771834 0.80 PARP10 (0.36) TDP1PARP10POLBAPPCYP1A2
SCHEMBL3169797 0.79 LMNA (0.45) ALDH1A1CYP3A4TSHRPOLBMAOA
SCHEMBL8889526 0.79 TDP1 (0.54) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL7143443 0.78 TDP1 (0.46) TDP1MAPK1ALDH1A1CYP3A4PARP10
SCHEMBL9615294 0.77 HIF1A (0.41) TDP1ALDH1A1CYP3A4PARP10TSHR
SCHEMBL11527810 0.76 LMNA (0.42) ALDH1A1CYP3A4TSHRPOLBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578711-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-11-26 US disclosed
US-5541299-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-07-30 US disclosed
US-5502171-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
EP-0446731-B1 Process for the manufacture of azo dyes BAYER AG (DE) 1995-05-03 EP disclosed
EP-0446731-A2 Process for the manufacture of azo dyes BAYER AG (DE) 1991-09-18 EP disclosed
US-4376728-A Process for the preparation of cationic alkylarylhydrazone dyestuffs and color bases thereof BAYER AKTIENGESELLSCHAFT (DE) 1983-03-15 US disclosed