SCHEMBL9122007

SCHEMBL9122007

COc1ccc(C(=O)Nc2ccccc2C(c2ccc(OC(C)=O)cc2)c2ccc(OC(C)=O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.65
MEN1 O00255 3/20 0.65
F10 P00742 2/20 0.60
HDAC1 Q13547 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 1/20 0.50
GAA P10253 2/20 0.48
SNCA P37840 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
SCHEMBL9126018 0.92 KMT2A (0.64) KMT2AMEN1F10HDAC1HDAC3
SCHEMBL9124828 0.89 MEN1 (0.62) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL9125948 0.88 F10 (0.63) KMT2AMEN1F10HDAC1HDAC3
SCHEMBL9124660 0.88 KMT2A (0.55) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL9124786 0.85 KMT2A (0.58) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL9124818 0.84 TSHR (0.53) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL9128477 0.82 KMT2A (0.55) KMT2AMEN1HDAC1HDAC3HDAC2
SCHEMBL9128668 0.82 MEN1 (0.48) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL9126538 0.79 MAPT (0.52) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL9126492 0.79 KMT2A (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1GAA

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-5413997-A For treatment of osteoporosis KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-05-09 US disclosed
EP-0395093-B1 TRIPHENYLMETHANE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-01 EP disclosed
US-5112867-A Osteoporosis Treatment KYOWA HAKKO GOGYO CO., LTD. (JP) 1992-05-12 US disclosed
EP-0395093-A1 Triphenylmethane derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-31 EP disclosed