SCHEMBL8942097

SCHEMBL8942097

CC(OCCO)Oc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.44
APP P05067 3/20 0.41
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
TEAD4 Q15561 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
PDE4D Q08499 1/20 0.33
PARP10 Q53GL7 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33

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
SCHEMBL4614660 0.91 NR1I2 (0.37) ALDH1A1CYP3A4CYP1A2CYP2C19GAA
SCHEMBL27925711 0.86 SMN1; SMN2 (0.44) ALDH1A1CYP3A4CYP2D6POLBLMNA
SCHEMBL4613138 0.85 CYP1A2 (0.41) ALDH1A1CYP3A4CYP1A2CYP2C19GAA
SCHEMBL9550950 0.84 LTA4H (0.38)
SCHEMBL15422617 0.82 POLB (0.42) CYP1A2CYP2C19GAAPOLBCYP2C9
SCHEMBL9440336 0.81 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP1A2CYP2C19GAA
SCHEMBL4612178 0.79 SMN1; SMN2 (0.41) TDP1TSHRALDH1A1CYP3A4CYP1A2
SCHEMBL17175328 0.78 ALDH1A1 (0.46) TDP1TSHRALDH1A1GAAMAPT
SCHEMBL10779364 0.78 CYP3A4 (0.41) TSHRMAPK1ALDH1A1CYP3A4CYP1A2
SCHEMBL7192869 0.78 KMT2A (0.59) TSHRMAPK1GAAPARP10

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-0042556-B1 PROCESS FOR THE MANUFACTURE OF ALKYLHYDRAZONE CATIONIC DYES AND THEIR DYESTUFF BASES BAYER AG (DE) 1984-02-08 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
EP-0042556-A2 Process for the manufacture of alkylhydrazone cationic dyes and their dyestuff bases BAYER AG (DE) 1981-12-30 EP disclosed