SCHEMBL7804229

SCHEMBL7804229

COc1cc(C(N)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TUBB4A P04350 3/20 0.41
TUBB P07437 3/20 0.41
TUBA3C P0DPH7 3/20 0.41
TUBA1B P68363 3/20 0.41
TUBA4A P68366 3/20 0.41
TUBB4B P68371 3/20 0.41
TUBB3 Q13509 3/20 0.41
TUBB2A Q13885 3/20 0.41
TUBB8 Q3ZCM7 3/20 0.41
TUBA3E Q6PEY2 3/20 0.41
TUBA1A Q71U36 3/20 0.41
TUBA1C Q9BQE3 3/20 0.41
TUBB6 Q9BUF5 3/20 0.41
TUBB2B Q9BVA1 3/20 0.41
TUBB1 Q9H4B7 3/20 0.41
RAB9A P51151 1/20 0.40
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 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
SCHEMBL7803588 0.88 TUBB4A (0.42) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL7785272 0.76 KMT2A (0.41) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL7785657 0.75 SMN1; SMN2 (0.37) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL27533545 0.74 NPC1 (0.46) ALDH1A1RAB9AABCB1KMT2A
SCHEMBL27533539 0.74 NPC1 (0.46) ALDH1A1RAB9AABCB1KMT2A
SCHEMBL17323188 0.74 TUBB4A (0.46) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL7804239 0.74 TDP1 (0.51) ALDH1A1TDP1RAB9AHSPB1PTGS2
SCHEMBL7804329 0.73 ALDH1A1 (0.44) ALDH1A1TDP1RAB9AGRM8GRM4
SCHEMBL7785541 0.72 TTR (0.59) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8731827 0.71 TPMT (0.43) TDP1TUBB4ATUBBTUBA3CTUBA1B

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
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed