SCHEMBL7696438

SCHEMBL7696438

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.79
▸ MEN1 O00255 7/20 0.79
▸ RAB9A P51151 4/20 0.79
▸ MITF O75030 3/20 0.79
▸ NPC1 O15118 3/20 0.79
▸ POLB P06746 2/20 0.79
▸ TDP1 Q9NUW8 1/20 0.70
▸ P4HTM Q9NXG6 1/20 0.68
▸ MAPT P10636 7/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ HTT P42858 1/20 0.65
▸ SRD5A2 P31213 1/20 0.64
▸ ATM Q13315 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ CD40 P25942 1/20 0.60
▸ CD40LG P29965 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ CYP11B1 P15538 1/20 0.58
▸ CYP11B2 P19099 1/20 0.58

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
SCHEMBL6855014 1.00 KMT2A (0.79) KMT2AMEN1RAB9AMITFNPC1
SCHEMBL7881346 1.00 KMT2A (0.79) KMT2AMEN1RAB9AMITFNPC1
SCHEMBL26695541 0.95 KMT2A (0.72) KMT2AMEN1RAB9AMITFNPC1
SCHEMBL9134339 0.93 KMT2A (0.83) KMT2AMEN1RAB9AMITFNPC1
SCHEMBL8572381 0.93 KMT2A (0.83) KMT2AMEN1RAB9AMITFNPC1
SCHEMBL23898948 0.93 KMT2A (0.83) KMT2AMEN1RAB9AMITFNPC1
SCHEMBL16367722 0.88 KMT2A (0.76) KMT2AMEN1RAB9AMITFNPC1
SCHEMBL3160310 0.88 MEN1 (0.87) KMT2AMEN1RAB9AMITFNPC1
SCHEMBL7881307 0.88 MEN1 (1.00) KMT2AMEN1RAB9AMITFNPC1
SCHEMBL24213121 0.88 KMT2A (0.76) KMT2AMEN1RAB9AMITFNPC1

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 7 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
EP-0922700-B1 Metal chelates of macrocyclic polyaminocarboxylic derivatives and their use for the diagnostic imaging GUERBET SA (FR) 2002-09-11 — — EP disclosed
EP-0922700-A1 Metal chelates of macrocyclic polyaminocarboxylic derivatives and their use for the diagnostic imaging GUERBET (FR) 1999-06-16 — — EP disclosed
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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