SCHEMBL7991743

SCHEMBL7991743

COc1ccc(-c2ccccc2C(N)=O)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.50
▸ AKR1C2 P52895 1/20 0.50
▸ TUBB4A P04350 5/20 0.48
▸ TUBB P07437 5/20 0.48
▸ TUBA3C P0DPH7 5/20 0.48
▸ TUBA1B P68363 5/20 0.48
▸ TUBA4A P68366 5/20 0.48
▸ TUBB4B P68371 5/20 0.48
▸ TUBB3 Q13509 5/20 0.48
▸ TUBB2A Q13885 5/20 0.48
▸ TUBB8 Q3ZCM7 5/20 0.48
▸ TUBA3E Q6PEY2 5/20 0.48
▸ TUBA1A Q71U36 5/20 0.48
▸ TUBA1C Q9BQE3 5/20 0.48
▸ TUBB6 Q9BUF5 5/20 0.48
▸ TUBB2B Q9BVA1 5/20 0.48
▸ TUBB1 Q9H4B7 5/20 0.48
▸ KMT2A Q03164 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ RAB9A P51151 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
SCHEMBL7545626 0.87 AKR1C3 (0.48) AKR1C3AKR1C2TUBB4ATUBBTUBA3C
SCHEMBL7256623 0.87 BCAT2 (0.57) AKR1C3AKR1C2KMT2ASMN1; SMN2RAB9A
SCHEMBL7499802 0.85 ABCB1 (0.54) AKR1C3AKR1C2TUBB4ATUBBTUBA3C
SCHEMBL7614440 0.85 TSHR (0.57) AKR1C3AKR1C2TUBB4ATUBBTUBA3C
SCHEMBL25295556 0.82 ALDH1A1 (0.52) KMT2ASMN1; SMN2RAB9AABCB1MEN1
SCHEMBL3787713 0.80 AKR1C3 (0.60) AKR1C3AKR1C2TUBB4ATUBBTUBA3C
SCHEMBL7449464 0.79 MEN1 (0.57) AKR1C3AKR1C2TUBB4ATUBBTUBA3C
SCHEMBL7546319 0.79 TP53 (0.56) AKR1C3AKR1C2TUBB4ATUBBTUBA3C
SCHEMBL7613027 0.79 AKR1C3 (0.52) AKR1C3AKR1C2TUBB4ATUBBTUBA3C
SCHEMBL7762502 0.79 BCAT2 (0.56) KMT2ASMN1; SMN2RAB9AMEN1MAPT

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
US-6258843-B1 DRUGS AS ENZYME INHIBITORS NOVARTIS AG (CH) 2001-07-10 — — US claimed
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