SCHEMBL8005076

SCHEMBL8005076

COc1cc(Sc2ccccc2)ccc1[N+]#N.F[B-](F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TUBB4A P04350 7/20 0.34
TUBB P07437 7/20 0.34
TUBA3C P0DPH7 7/20 0.34
TUBA1B P68363 7/20 0.34
TUBA4A P68366 7/20 0.34
TUBB4B P68371 7/20 0.34
TUBB3 Q13509 7/20 0.34
TUBB2A Q13885 7/20 0.34
TUBB8 Q3ZCM7 7/20 0.34
TUBA3E Q6PEY2 7/20 0.34
TUBA1A Q71U36 7/20 0.34
TUBA1C Q9BQE3 7/20 0.34
TUBB6 Q9BUF5 7/20 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
SCHEMBL2687596 0.74 CA1 (0.46) ALDH1A1KMT2AABCG2SMN1; SMN2L3MBTL1
SCHEMBL11662398 0.74 TDP1 (0.51) ARALDH1A1MAPTMAOAMAOB
SCHEMBL6297073 0.73 CA12 (0.48) ALDH1A1MAPTMEN1KMT2A
SCHEMBL10564377 0.73 CA12 (0.48) ALDH1A1MAPTMEN1KMT2A
Nitrogen SCHEMBL8005079 0.73 ABCG2 (0.49) MAPTMEN1KMT2ATUBB4ATUBB
SCHEMBL7029681 0.72 MAPT (0.55) ARALDH1A1MAPTMEN1KMT2A
SCHEMBL6588098 0.72 KDM4E (0.36) ALDH1A1MAPTTUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL11080769 0.72 NPC1 (0.44) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL6293396 0.69 IMPDH2 (0.46) ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL2904377 0.68 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136425-A SUITABLE FOR A PRINTING PLATE WHICH GIVES AN EXCELLENT WATER RETENTION PROPERTY AND PREVENTS STAINS FROM OCCURRING AT NON-IMAGE PORTIONS KONICA CORPORATION (JP) 2000-10-24 US disclosed