SCHEMBL7785272

SCHEMBL7785272

COc1cc(C(N[C@@H](C)c2ccccc2)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 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
SCHEMBL7785173 0.89 ALDH1A1 (0.45) KMT2AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL7785657 0.88 SMN1; SMN2 (0.37) KMT2AMAPTSMN1; SMN2MEN1MAPK1
SCHEMBL7789422 0.84 ABCB1 (0.40) KMT2AMAPTSMN1; SMN2MEN1MAPK1
SCHEMBL7785112 0.82 KMT2A (0.44) KMT2AMAPTSMN1; SMN2MEN1MAPK1
SCHEMBL27533539 0.81 NPC1 (0.46) KMT2AMAPTMAPK1ALDH1A1POLB
SCHEMBL27533545 0.81 NPC1 (0.46) KMT2AMAPTMAPK1ALDH1A1POLB
SCHEMBL7785523 0.81 MAPT (0.40) KMT2AMAPTSMN1; SMN2MEN1MAPK1
SCHEMBL7787494 0.78 KMT2A (0.38) KMT2AMAPTSMN1; SMN2MEN1MAPK1
SCHEMBL7780324 0.76 CRHBP (0.47) KMT2AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL7804229 0.76 ALDH1A1 (0.42) KMT2AALDH1A1TDP1TUBB4ATUBB

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-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed