SCHEMBL31406949

SCHEMBL31406949

COc1ccc(C)cc1C(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.56
▸ LMNA P02545 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ TDP1 Q9NUW8 1/20 0.51
▸ AR P10275 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47
▸ TUBB8 Q3ZCM7 1/20 0.47
▸ TUBA3E Q6PEY2 1/20 0.47
▸ TUBA1A Q71U36 1/20 0.47
▸ TUBA1C Q9BQE3 1/20 0.47
▸ TUBB6 Q9BUF5 1/20 0.47
▸ TUBB2B Q9BVA1 1/20 0.47

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
SCHEMBL31406948 0.83 KCNMA1 (0.56) LMNAALDH1A1POLBMAPTGAA
SCHEMBL13816427 0.81 HTT (0.52) HTTLMNAALDH1A1TDP1AR
SCHEMBL9717042 0.81 POLB (0.52) HTTLMNAALDH1A1POLBMAPT
SCHEMBL31331689 0.81 HTT (0.63) HTTLMNAALDH1A1TDP1TUBB4A
SCHEMBL6589303 0.80 MAPT (0.45) LMNAALDH1A1MAPTGAAHPGD
SCHEMBL9726812 0.80 ACHE (0.58) HTTLMNAALDH1A1POLBMAPT
SCHEMBL28395903 0.78 TSHR (0.62) HTTALDH1A1POLBMAPT
SCHEMBL975117 0.78 ALDH1A1 (0.68) HTTALDH1A1TDP1MAPTGAA
SCHEMBL31406946 0.77 GPR35 (0.57) LMNAALDH1A1TDP1POLBMAPT
SCHEMBL31406955 0.77 GPR35 (0.57) LMNAALDH1A1TDP1POLBMAPT

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
CN-119192005-A Diamine monomer and preparation method thereof, polyimide material and preparation method and application thereof 中国科学院长春应用化学研究所 2024-12-27 — — CN disclosed
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