SCHEMBL9245583

SCHEMBL9245583

O=C(O)c1ccc(N=NCN=Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.66
▸ SRD5A2 P31213 2/20 0.60
▸ MAPT P10636 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.51
▸ CES1 P23141 2/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ CES2 O00748 1/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ TRPA1 O75762 1/20 0.47
▸ POLB P06746 2/20 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
SCHEMBL8660017 0.89 TDP1 (0.78) TDP1SRD5A2MAPTMEN1KMT2A
SCHEMBL7798421 0.89 TDP1 (0.78) TDP1SRD5A2MAPTMEN1KMT2A
SCHEMBL8520517 0.85 TRPA1 (0.63) TDP1SRD5A2MAPTMEN1KMT2A
SCHEMBL9241290 0.82 MAPT (0.56) TDP1MAPTMEN1KMT2ASMN1; SMN2
Terephthalic Acid SCHEMBL28023943 0.81 TDP1 (1.00) TDP1SRD5A2MEN1KMT2AALDH1A1
4-Nitrobenzoic Acid SCHEMBL43476 0.81 TDP1 (1.00) TDP1SRD5A2MEN1KMT2AALDH1A1
4-Nitrobenzoic Acid SCHEMBL8025368 0.79 TDP1 (0.95) TDP1SRD5A2MEN1KMT2AALDH1A1
4-Nitrobenzoic Acid SCHEMBL17332069 0.79 TDP1 (0.95) TDP1SRD5A2MEN1KMT2AALDH1A1
4-Nitrobenzoic Acid SCHEMBL321099 0.79 TDP1 (0.95) TDP1SRD5A2MEN1KMT2AALDH1A1
4-Nitrobenzoic Acid SCHEMBL10720762 0.79 TDP1 (0.95) TDP1SRD5A2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5412044-A Nitro group terminated mesogenic epoxy resin adducts THE DOW CHEMICAL COMPANY (US) 1995-05-02 — — US claimed
US-5464912-A Adduct with rodlike mesogenic moiety, adduct made by reacting polyepoxide with nitro/so/ compound having epoxy-reactive hydrogen; conversion of hydroxyl product to ether, ester, halide, urethane, ketone, alkane; reducing nitro/so/ to amine THE DOW CHEMICAL COMPANY (US) 1995-11-07 — — US disclosed
US-5412044-A Nitro group terminated mesogenic epoxy resin adducts THE DOW CHEMICAL COMPANY (US) 1995-05-02 — — US disclosed
US-5344898-A Curable composition with stilbene groups and molecular orientation THE DOW CHEMICAL COMPANY (US) 1994-09-06 — — US disclosed
US-5298575-A Consists of at least one compound having more than one vicinal epoxide group and at least one amine terminated adduct containing one or more mesogenic moities THE DOW CHEMICAL COMPANY (US) 1994-03-29 — — US disclosed
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