SCHEMBL9684699

SCHEMBL9684699

O=C(O)c1cc([N+](=O)[O-])cc2cc([N+](=O)[O-])cc(C(=O)OC(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(C(=O)O)c34)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ CTSV O60911 2/20 0.39
▸ CTSL P07711 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ CASP6 P55212 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11420063 0.90 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL3895684 0.87 CLTC (0.46) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL9077636 0.80 CDK2 (0.47) ALDH1A1MAPTTDP1CTSVCTSL
SCHEMBL11428771 0.77 CLTC (0.50) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL9324004 0.77 ALDH1A1 (0.60) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL9038865 0.76 HASPIN (0.38) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL3713870 0.75 ALDH1A1 (0.58) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL9077993 0.75 KDM4E (0.49) ALDH1A1MAPTTDP1HTTCASP6
SCHEMBL3858203 0.74 ALDH1A1 (0.42) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL9039039 0.73 KMT2A (0.41) ALDH1A1MAPTTDP1MAPK1CTSV

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5126504-A Easily strippable HOECHST AKTIENGESELLSCHAFT (DE) 1992-06-30 — — US disclosed
US-4525444-A SULFONYL ISOCYANATE REACTED WITH HYDROXY-CONTAINING POLYMER AS BINDER, PRINTED CIRCUITS HOECHST AKTIENGESELLSCHAFT (DE) 1985-06-25 — — US disclosed
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