SCHEMBL18609591

SCHEMBL18609591

COc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccccc1OCc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.49
KDR P35968 1/20 0.48
EPHB4 P54760 1/20 0.48
TEK Q02763 1/20 0.48
PKM P14618 1/20 0.46
ALDH1A1 P00352 2/20 0.46
RAF1 P04049 2/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BRAF P15056 1/20 0.46
PPIA P62937 1/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
ANO1 Q5XXA6 1/20 0.44

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
SCHEMBL18609414 0.88 HDAC1 (0.57) ALDH1A1RAF1LMNASMN1; SMN2PLA2G1B
SCHEMBL18609585 0.88 ALDH1A1 (0.49) NAMPTPKMALDH1A1ROCK2ROCK1
SCHEMBL18609811 0.85 NAMPT (0.46) NAMPTPKMALDH1A1ROCK2ROCK1
SCHEMBL18609613 0.84 MRGPRX4 (0.55) LMNASMN1; SMN2
SCHEMBL18609592 0.80 LMNA (0.51) NAMPTPKMRAF1LMNASMN1; SMN2
SCHEMBL18609587 0.78 NAMPT (0.49) NAMPTALDH1A1SMN1; SMN2
SCHEMBL15574745 0.78 RAF1 (0.59) NAMPTALDH1A1RAF1LMNASMN1; SMN2
SCHEMBL18609581 0.77 ALDH1A1 (0.45) NAMPTALDH1A1ROCK2ROCK1LMNA
SCHEMBL18609420 0.77 MAPT (0.55) ALDH1A1RAF1SMN1; SMN2BRAFPPARG
SCHEMBL18610091 0.77 KMT2A (0.45) PKMALDH1A1RAF1LMNASMN1; SMN2

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