SCHEMBL30289796

SCHEMBL30289796

O=c1[nH]c(Nc2ccc(F)cc2F)nc2cc(Cl)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42
▸ TUBA1C Q9BQE3 1/20 0.42
▸ TUBB6 Q9BUF5 1/20 0.42
▸ TUBB2B Q9BVA1 1/20 0.42
▸ TUBB1 Q9H4B7 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL30289922 0.81 TAAR1 (0.52) HPGDLMNASMN1; SMN2TUBB4ATUBB
SCHEMBL30289868 0.77 MAPT (0.52) HPGDSMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL30289874 0.76 MAPT (0.58) HPGDSMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL30289893 0.74 AKT1 (0.40) SMN1; SMN2ALDH1A1GAAJAK2MAPK14
SCHEMBL9776737 0.72 MAPT (0.60) HPGDSMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL30289897 0.71 KMT2A (0.75) LMNASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL6670119 0.70 TYMS (0.63) HPGDLMNASMN1; SMN2TUBB4ATUBB
SCHEMBL578054 0.70 PARP14 (0.46) HPGDLMNASMN1; SMN2TUBB4ATUBB
SCHEMBL27321504 0.69 MAPT (0.64) HPGDSMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL3037555 0.69 TUBB4A (0.56) HPGDLMNASMN1; SMN2TUBB4ATUBB

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-2023054759-A1 2-AMINOQUINAZOLINE DERIVATIVE AND ANTI-VIRAL COMPOSITION COMPRISING SAME 한국화학연구원 2023-04-06 — — WO disclosed
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