SCHEMBL7632

SCHEMBL7632

CCOC(=O)CC1(c2ccc(-c3ccc(-c4onc(C)c4N(C)CCCc4c(F)cccc4Cl)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
SCN9A Q15858 6/20 0.37
MEN1 O00255 2/20 0.36
ATM Q13315 1/20 0.36
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
SCN5A Q14524 4/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL7294 0.91 P2RX7 (0.36) KMT2ASCN9AMEN1P2RX7MAPT
SCHEMBL6153 0.89 GAA (0.36) P2RX7ALDH1A1MAPTGAA
SCHEMBL2182 0.88 SCN9A (0.38) KMT2ASCN9AMEN1ATMP2RX7
SCHEMBL6445 0.86 CHRM1 (0.36) ALDH1A1MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL7572 0.85 SLC26A6 (0.36) ALDH1A1TDP1HTTSMN1; SMN2TSHR
SCHEMBL6765 0.85 BRD4 (0.33) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2605 0.84 CYP2C9 (0.41) SCN9AP2RX7MAPTPOLBSCN5A
SCHEMBL11897090 0.82 HDAC1 (0.36) KMT2AMEN1ALDH1A1TDP1ALOX15
SCHEMBL7532 0.81 ALOX5 (0.35) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL6547 0.81 KMT2A (0.39) KMT2ASCN9AMEN1ATMP2RX7

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
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed