SCHEMBL16137235

SCHEMBL16137235

CC(=O)NCCCCc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.41
▸ GCGR P47871 6/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL17861335 0.93 SMN1; SMN2 (0.44) GCGRADORA3MAPTTP53HDAC1
SCHEMBL19042104 0.91 SLC6A5 (0.41) SLC6A5GCGRMAPTHDAC1HDAC6
SCHEMBL22897519 0.87 HDAC1 (0.39) GCGRADORA3MAPTTP53HDAC1
SCHEMBL17454804 0.86 EPHX2 (0.49) MAPTTP53EPHX2ALDH1A1
SCHEMBL17454650 0.86 EPHX2 (0.49) EPHX2
SCHEMBL17454639 0.85 KMT2A (0.51) SLC6A5HDAC1HDAC3EPHX2
SCHEMBL17470685 0.84 EPHX2 (0.49) SLC6A5MAPTEPHX2
SCHEMBL17454641 0.84 EPHX2 (0.49) MAPTEPHX2
SCHEMBL16112776 0.84 LTA4H (0.46) GCGRMAPTHDAC1HDAC6EPHX2
SCHEMBL26711505 0.84 PRMT1 (0.37) GCGRMAPTTP53HDAC1HDAC6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014160031-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-02 — — WO disclosed
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