SCHEMBL31406950

SCHEMBL31406950

COc1ccc(C)cc1C(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
SETD7 Q8WTS6 1/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 5/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 3/20 0.52
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52
TUBA1A Q71U36 1/20 0.52
TUBA1C Q9BQE3 1/20 0.52
TUBB6 Q9BUF5 1/20 0.52

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
SCHEMBL9182030 0.88 MAPT (0.61) RAB9ASMN1; SMN2SETD7KMT2AMAPT
SCHEMBL7789011 0.86 SMN1; SMN2 (0.73) RAB9ASMN1; SMN2SETD7KMT2AMAPT
SCHEMBL31406944 0.85 HTT (0.55) RAB9AKMT2AMAPTMEN1ALDH1A1
SCHEMBL31406954 0.84 ALDH1A1 (0.55) RAB9ASMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL7785258 0.83 MAPT (0.54) RAB9ASMN1; SMN2SETD7KMT2AMAPT
SCHEMBL5072126 0.82 MAPT (0.70) RAB9ASMN1; SMN2SETD7KMT2AMAPT
SCHEMBL9363669 0.82 ALDH1A1 (0.56) RAB9ASMN1; SMN2KMT2AMAPTMEN1
SCHEMBL27574689 0.82 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2SETD7KMT2AMAPT
SCHEMBL7785006 0.81 NPC1 (0.59) RAB9ASMN1; SMN2SETD7KMT2AMAPT
SCHEMBL10690800 0.80 TSHR (0.68) RAB9AKMT2AMAPTMEN1ALDH1A1

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