SCHEMBL748780

SCHEMBL748780

CC(C)(C)c1ccc(CN(CCc2ccc(F)c(F)c2)C(=O)c2cccc3c2NCCC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SLC13A5 Q86YT5 1/20 0.34
PARP1 P09874 6/20 0.34
KMT2A Q03164 2/20 0.33
ESRRG P62508 1/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
F7 P08709 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
RIPK1 Q13546 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31

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
SCHEMBL746610 0.90 TP53 (0.42) TP53MAPTSLC13A5KMT2AESRRG
SCHEMBL748523 0.90 LPAR1 (0.38) SLC13A5KMT2ACRHBPCRHR2
SCHEMBL746591 0.89 PARP1 (0.33) TP53MAPTPARP1KMT2AESRRG
SCHEMBL747114 0.89 C5AR1 (0.41) SLC13A5KMT2AESRRGCRHBPCRHR2
SCHEMBL745473 0.88 KMT2A (0.44) MAPTSLC13A5KMT2AESRRGCRHBP
SCHEMBL747162 0.88 TACR1 (0.37) TP53MAPTSLC13A5KMT2A
SCHEMBL748724 0.88 F10 (0.40) SLC13A5KMT2AF2F10F7
SCHEMBL745501 0.88 TMEM97 (0.39) TP53SLC13A5KMT2AESRRGCRHBP
SCHEMBL748554 0.88 LPAR1 (0.36) TP53MAPTSLC13A5KMT2AKDM4E
SCHEMBL748461 0.88 ESRRG (0.46) TP53MAPTSLC13A5KMT2AESRRG

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-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP claimed
US-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US claimed
EP-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP disclosed
US-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US disclosed