SCHEMBL9010025

SCHEMBL9010025

CC(C)CN(c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
MCL1 Q07820 15/20 0.53
BCL2L1 Q07817 7/20 0.53
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL8311620 0.86 KMT2A (0.64) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10722949 0.84 KMT2A (0.81) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11083430 0.82 ALDH1A1 (0.72) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9010008 0.82 KMT2A (0.65) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10913804 0.81 KMT2A (0.62) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9320570 0.80 ALDH1A1 (0.83) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9009958 0.80 KMT2A (0.67) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL32689450 0.80 KMT2A (0.77) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6881754 0.80 KMT2A (0.77) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL29570529 0.78 KMT2A (0.72) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1

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
EP-0466040-B1 Crystals of fluoran compound, crystalline solvates thereof, process for their preparation and recording material comprising said crystal or said solvate MITSUI TOATSU CHEMICALS (JP) 1996-11-06 EP disclosed
US-5302571-A Useful as chromogenic compounds in pressure or heat sensitive recording materials MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-12 US disclosed
US-5245049-A Phthalein dyes MITSUI TOATSU CHEMICALS, INC. (JP) 1993-09-14 US disclosed
EP-0466040-A1 Crystals of fluoran compound, crystalline solvates thereof, process for their preparation and recording material comprising said crystal or said solvate MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-01-15 EP disclosed