SCHEMBL9002808

SCHEMBL9002808

Cc1nccc(C(N)=O)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NTRK1 P04629 5/20 0.42
PIM1 P11309 5/20 0.42
ACVR1 Q04771 2/20 0.42
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
NNMT P40261 2/20 0.41
P2RX7 Q99572 1/20 0.41
PIK3CB P42338 1/20 0.41
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
AHR P35869 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP1 P09874 2/20 0.38
CDC7 O00311 1/20 0.37
CCNC P24863 1/20 0.36

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
SCHEMBL161321 0.82 SIRT3 (0.46) SIRT3TDP1NTRK1PIM1ACVR1
SCHEMBL353138 0.82 SIRT3 (0.46) SIRT3TDP1KDM4EL3MBTL1MKNK1
SCHEMBL31606794 0.82 SIRT3 (0.46) SIRT3TDP1NTRK1PIM1ACVR1
SCHEMBL5169958 0.80 SIRT3 (0.44) SIRT3TDP1KDM4EL3MBTL1MKNK1
SCHEMBL14917426 0.80 MKNK1 (0.41) SIRT3TDP1NTRK1PIM1ACVR1
Hydrochloric Acid SCHEMBL5012214 0.80 NTRK1 (0.44) SIRT3TDP1NTRK1PIM1ACVR1
Hydrochloric Acid SCHEMBL5796678 0.80 SIRT3 (0.44) SIRT3TDP1KDM4EL3MBTL1MKNK1
Hydrochloric Acid SCHEMBL5012204 0.80 NTRK1 (0.44) SIRT3TDP1NTRK1PIM1ACVR1
SCHEMBL29089331 0.80 NTRK1 (0.44) SIRT3TDP1NTRK1PIM1ACVR1
Ammonia Solution, Strong SCHEMBL27581013 0.80 NTRK1 (0.44) SIRT3TDP1NTRK1PIM1ACVR1

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-5516901-A Preparation of reactive phthalocyanine dyes BASF AKTIENGESELLSCHAFT (DE) 1996-05-14 US disclosed
CN-1088235-A The preparation of reactive phthalocyanine dyes BASF AG (DE) 1994-06-22 CN disclosed
US-5302708-A Colorfastness HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-12 US disclosed
US-4745187-A Process for the preparation of water-soluble phthalocyanine dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-05-17 US disclosed