SCHEMBL8903918

SCHEMBL8903918

CC(CCCC#N)c1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.42
▸ PTPN5 P54829 3/20 0.42
▸ KIF11 P52732 4/20 0.41
▸ AGXT P21549 1/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ CTSS P25774 5/20 0.38
▸ CTSK P43235 5/20 0.38
▸ CTSL P07711 4/20 0.38
▸ CTSB P07858 2/20 0.38
▸ NAAA Q02083 1/20 0.37
▸ FFAR1 O14842 3/20 0.36

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
SCHEMBL8903873 0.85 PNMT (0.44) CTSL
SCHEMBL2090483 0.81 AGXT (0.47) CASRPTPN5KIF11AGXTHDAC4
SCHEMBL8903607 0.79 PTPN5 (0.43) CASRPTPN5KIF11HDAC4PSEN1
SCHEMBL8903499 0.76 CASR (0.43) CASRPTPN5KIF11AGXTHDAC4
SCHEMBL8903496 0.76 CASR (0.43) CASRPTPN5KIF11AGXTHDAC4
SCHEMBL18878437 0.76 PTPN5 (0.66) CASRPTPN5KIF11AGXTHDAC4
SCHEMBL23263973 0.75 PNMT (0.46) CASRPTPN5KIF11AGXTHDAC4
SCHEMBL8903402 0.73 SLC13A5 (0.40) PTPN5KIF11AGXTCTSSCTSK
SCHEMBL3721175 0.73 PTPN5 (0.51) CASRPTPN5KIF11AGXTHDAC4
SCHEMBL2274626 0.73 PTPN5 (0.69) CASRPTPN5KIF11AGXTHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627189-A Insecticidal 5-substituted-2,4-diaminopyrimidine derivatives FMC CORPORATION (US) 1997-05-06 — — US disclosed
US-5587379-A CONTROLLING INSECTS IN AGRICULTURAL CROPS FMC CORPORATION (US) 1996-12-24 — — US disclosed
US-5521192-A TOBACCO BUDWORM, CABBAGE LOOPER, BEET ARMYWORM FMC CORPORATION (US) 1996-05-28 — — US disclosed
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