SCHEMBL9218216

SCHEMBL9218216

CC(C)(C)c1ccc(C(=O)n2c(-c3ccc(Cl)cc3)c(C#N)c(Br)c2C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 4/20 0.40
GRIA2 P42262 3/20 0.40
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLAU P00749 1/20 0.37
ELANE P08246 1/20 0.37
MGLL Q99685 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
RAPGEF3 O95398 6/20 0.35
RAPGEF4 Q8WZA2 4/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS2 P35354 1/20 0.34

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
SCHEMBL9215790 0.93 MGLL (0.42) POLBELANEMGLLMEN1KMT2A
SCHEMBL9218224 0.93 MEN1 (0.37) GRIA4GRIA2POLBMGLLMEN1
SCHEMBL9218441 0.90 MGLL (0.37) GRIA4GRIA2POLBMGLLMEN1
SCHEMBL8404970 0.87 ABCB1 (0.37) GRIA4GRIA2POLBRAB9ASMN1; SMN2
SCHEMBL9214976 0.84 PGR (0.38) POLBPLAUELANEMGLLCNR1
SCHEMBL9209300 0.84 MEN1 (0.42) MGLLMEN1KMT2A
SCHEMBL9423380 0.83 S1PR3 (0.34) GRIA4GRIA2POLBRAB9AMEN1
SCHEMBL9212060 0.83 ALDH1A1 (0.36) GRIA4GRIA2POLBCNR1CNR2
SCHEMBL9423599 0.82 KDM4E (0.38) GRIA4GRIA2POLBSMN1; SMN2CNR1
SCHEMBL9423419 0.82 ALDH1A1 (0.38) GRIA4GRIA2POLBSMN1; SMN2MGLL

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
EP-0484614-B1 N-acylated arylpyrroles useful as insecticidal, acaricidal, nematicidal and molluscicidal agents AMERICAN CYANAMID CO (US) 1995-05-24 EP claimed
US-5328928-A Miticides, nematocides, fungicides or molluscicides AMERICAN CYANAMID COMPANY (US) 1994-07-12 US claimed
US-5328928-A Miticides, nematocides, fungicides or molluscicides AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed