SCHEMBL23958599

SCHEMBL23958599

COc1cc(C)cc(/C=C(/C)N)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.45
ACHE P22303 2/20 0.39
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 0.37
TUBB8 Q3ZCM7 2/20 0.37
TUBA3E Q6PEY2 2/20 0.37
TUBA1A Q71U36 2/20 0.37
TUBA1C Q9BQE3 2/20 0.37
TUBB6 Q9BUF5 2/20 0.37
TUBB2B Q9BVA1 2/20 0.37
TUBB1 Q9H4B7 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.35

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
SCHEMBL23958620 0.77 SELL (0.38) ERN1ACHEALDH1A1MAPTGAA
SCHEMBL23958596 0.76 MAPT (0.44) ERN1ALDH1A1SMN1; SMN2CYP3A4MAPT
SCHEMBL5028318 0.74 ACHE (0.59) ERN1ACHEALDH1A1SMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL8706033 0.72 ACHE (0.56) ERN1ACHEALDH1A1SMN1; SMN2CYP3A4
SCHEMBL27408145 0.70 EP300 (0.48) ERN1ACHEALDH1A1SMN1; SMN2CYP3A4
SCHEMBL4730926 0.69 ALDH1A1 (0.56) ERN1ACHEALDH1A1CYP3A4MAPT
SCHEMBL30436671 0.69 ACHE (0.52) ERN1ACHEALDH1A1SMN1; SMN2CYP3A4
SCHEMBL11139031 0.69 ACHE (0.52) ERN1ACHEALDH1A1SMN1; SMN2CYP3A4
SCHEMBL13891035 0.67 GRIN2D (0.54) ERN1ALDH1A1CYP3A4MAPTNPSR1
SCHEMBL15906147 0.66 MAPT (0.55) ERN1ACHEALDH1A1SMN1; SMN2CYP3A4

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-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed