SCHEMBL8975663

SCHEMBL8975663

C=C(O)Oc1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.48
ALDH1A1 P00352 6/20 0.48
CYP3A4 P08684 3/20 0.48
TSHR P16473 2/20 0.48
MAOA P21397 3/20 0.46
MAPK1 P28482 1/20 0.44
MAPT P10636 6/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 3/20 0.40
GFER P55789 2/20 0.40
THRB P10828 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
BLM P54132 1/20 0.40
CASP6 P55212 1/20 0.40
MAOB P27338 2/20 0.39
TEAD4 Q15561 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 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
SCHEMBL20036375 0.78 TDP1 (0.48) TDP1ALDH1A1CYP3A4TSHRMAOA
SCHEMBL3154876 0.78 KMT2A (0.45) TDP1ALDH1A1CYP3A4TSHRMAOA
SCHEMBL12153906 0.77 MEN1 (0.50) TDP1ALDH1A1CYP3A4MAPTKMT2A
SCHEMBL3866429 0.76 LTA4H (0.45) TDP1ALDH1A1TSHRMAPTKDM4E
SCHEMBL11126719 0.75 TDP1 (0.48) TDP1ALDH1A1CYP3A4TSHRMAOA
SCHEMBL13598832 0.75 LMNA (0.54) TDP1ALDH1A1CYP3A4TSHRMAPT
SCHEMBL2132487 0.72 TDP1 (0.50) TDP1ALDH1A1CYP3A4TSHRMAOA
SCHEMBL4100461 0.72 TDP1 (0.50) TDP1ALDH1A1CYP3A4TSHRMAOA
SCHEMBL1263025 0.72 ELANE (0.59) TDP1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL28447709 0.70 ALDH1A1 (0.41) TDP1ALDH1A1CYP3A4TSHRMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398620-B1 Poly(oxyalkylene) modified phthalocyanine colorants MILLIKEN RES CORP (US) 1996-04-17 EP disclosed
US-5135972-A For polymeric substrates MILLIKEN RESEARCH CORPORATION (US) 1992-08-04 US disclosed
EP-0398620-A2 Poly(oxyalkylene) modified phthalocyanine colorants MILLIKEN RESEARCH CORPORATION (US) 1990-11-22 EP disclosed