SCHEMBL20020222

SCHEMBL20020222

C=Cc1cc(Cc2cccc(C)c2)on1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ TDP1 Q9NUW8 4/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RAB9A P51151 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ MAPK1 P28482 3/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 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
SCHEMBL13183799 0.80 KMT2A (0.46) CYP11B1CYP11B2TDP1RAB9ANPC1
SCHEMBL13183648 0.75 CYP11B1 (0.41) CYP11B1CYP11B2TDP1RAB9ANPC1
SCHEMBL15932193 0.73 ALDH1A1 (0.45) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2
SCHEMBL7374833 0.70 TAAR1 (0.42) CYP11B1CYP11B2TDP1TP53RAB9A
SCHEMBL11932306 0.70 — —
SCHEMBL15932194 0.70 SMN1; SMN2 (0.53) TDP1TP53SMN1; SMN2L3MBTL1KMT2A
SCHEMBL30000562 0.69 TAAR1 (0.60) TAAR1MAPK1IDO1DAOLTA4H
SCHEMBL29459538 0.69 TAAR1 (0.60) TAAR1MAPK1IDO1DAOLTA4H
SCHEMBL1263547 0.69 TAAR1 (0.60) TAAR1MAPK1IDO1DAOLTA4H
Styrene SCHEMBL9657977 0.68 TP53 (0.60) TDP1TP53NPC1EGFRTAAR1

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
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 — — EP disclosed
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