SCHEMBL18609587

SCHEMBL18609587

COc1ccc(OC(F)(F)F)cc1NC(=O)NCc1ccccc1OCc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
ATM Q13315 1/20 0.45
NTRK1 P04629 1/20 0.45

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
SCHEMBL18609585 0.91 ALDH1A1 (0.49) NAMPTSMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL18609409 0.86 MRGPRX4 (0.56) SMN1; SMN2KDM4EALDH1A1HPGDTSHR
SCHEMBL18609408 0.85 L3MBTL1 (0.52) SMN1; SMN2ALDH1A1KMT2AL3MBTL1NTRK1
SCHEMBL18609412 0.85 MRGPRX4 (0.52) SMN1; SMN2ALDH1A1L3MBTL1NTRK1
SCHEMBL18609825 0.85 RXRA (0.53) SMN1; SMN2ALDH1A1KMT2AL3MBTL1NTRK1
SCHEMBL18609677 0.85 ANO1 (0.46) SMN1; SMN2ALDH1A1KMT2AL3MBTL1NTRK1
SCHEMBL18609826 0.84 HDAC1 (0.56) SMN1; SMN2KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL18609595 0.83 L3MBTL1 (0.49) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A
SCHEMBL18610091 0.83 KMT2A (0.45) SMN1; SMN2ALDH1A1TSHRKMT2AHSD17B10
SCHEMBL18609828 0.83 L3MBTL1 (0.48) SMN1; SMN2ALDH1A1TSHRKMT2AHSD17B10

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-3345892-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 EP disclosed
WO-2017038871-A1 UREA DERIVATIVE AND USE THEREFOR 東レ株式会社 2017-03-09 WO disclosed