SCHEMBL10399043

SCHEMBL10399043

COc1cccc(C=C(C=O)c2cccc(F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.56
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
NQO2 P16083 1/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48

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
SCHEMBL10399039 1.00 NFE2L2 (0.56) NFE2L2NPC1RAB9ANQO2ALDH1A1
SCHEMBL28577973 0.86 KMT2A (0.65) NPC1RAB9ANQO2ALDH1A1MEN1
SCHEMBL31452298 0.83 KMT2A (0.57) NPC1RAB9ANQO2ALDH1A1MEN1
SCHEMBL19112441 0.82 NQO2 (0.57) NPC1RAB9ANQO2ALDH1A1MEN1
SCHEMBL18889747 0.80 NQO2 (0.56) NPC1RAB9ANQO2ALDH1A1MEN1
SCHEMBL18889744 0.80 NQO2 (0.56) NPC1RAB9ANQO2ALDH1A1MEN1
SCHEMBL14692567 0.76 BCHE (0.75) NFE2L2NPC1RAB9AALDH1A1MEN1
SCHEMBL10399041 0.76 BCHE (0.75) NFE2L2NPC1RAB9AALDH1A1MEN1
SCHEMBL27575136 0.74 CES2 (0.53) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL9507267 0.74 KMT2A (0.55) NFE2L2NPC1RAB9AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed