SCHEMBL9703810

SCHEMBL9703810

O=[N+]([O-])c1ccc(Oc2ccc3ccccc3c2Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 3/20 0.44
ALOX5 P09917 2/20 0.43
PTGES O14684 1/20 0.43
PDE7A Q13946 1/20 0.43
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL347599 0.83 HSPB1 (0.53) HSPB1MEN1KMT2ARXFP1ALDH1A1
SCHEMBL30570728 0.79 HSPB1 (0.57) HSPB1MEN1KMT2ARXFP1ALDH1A1
SCHEMBL9330033 0.79 HSPB1 (0.57) HSPB1MEN1KMT2ARXFP1ALDH1A1
SCHEMBL27716260 0.79 HSPB1 (0.59) HSPB1MEN1KMT2AALDH1A1KDM4E
SCHEMBL1052575 0.79 MAPT (0.52) KMT2AALDH1A1KDM4EMAPT
SCHEMBL7937699 0.78 ABCG2 (0.49) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL7632959 0.77 HSPB1 (0.66) HSPB1MEN1KMT2ARXFP1ALDH1A1
SCHEMBL9703072 0.77 HSPB1 (0.43) HSPB1MEN1KMT2ARXFP1ALDH1A1
SCHEMBL7899099 0.76 KDM1A (0.56) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL7937733 0.76 MAPT (0.43) MEN1KMT2AALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116162241-A Polyimide resin containing tetraphenyl naphthalene unit and preparation method thereof 安徽大学 2023-05-26 CN claimed
WO-1992012120-A1 BIS(AMINOPHENOXY)NAPHTHALENES AND BIS(NITROPHENOXY)NAPHTHALENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-23 WO claimed
CN-116162241-A Polyimide resin containing tetraphenyl naphthalene unit and preparation method thereof 安徽大学 2023-05-26 CN disclosed
WO-1992012120-A1 BIS(AMINOPHENOXY)NAPHTHALENES AND BIS(NITROPHENOXY)NAPHTHALENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-23 WO disclosed