SCHEMBL16282575

SCHEMBL16282575

CCC(C)(C)c1ccc(C(=O)O)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
P4HTM Q9NXG6 12/20 0.47
P4HA1 P13674 1/20 0.47

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
SCHEMBL19965699 0.85 KMT2A (0.60) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL19135681 0.82 USP7 (0.41) KDM4EALDH1A1KMT2ALMNACYP1A2
SCHEMBL3203433 0.82 P4HTM (0.53) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL22778670 0.81 KDM4E (0.48) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL10328712 0.79 KMT2A (0.51) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL27927702 0.76 P4HTM (0.47) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL29108500 0.76 KDM4E (0.51) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL18745377 0.74 NPC1 (0.38) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL211804 0.74 KMT2A (0.70) KDM4EALDH1A1L3MBTL1KMT2AP4HTM
SCHEMBL31532327 0.74 KMT2A (0.70) KDM4EALDH1A1L3MBTL1KMT2AP4HTM

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-9783501-B2 Substituted quinolines as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 US disclosed
US-20140363758-A1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, MANUFACTURING METHOD OF ELECTRONIC DEVICE USING THE SAME AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2014-12-11 US disclosed