SCHEMBL9306598

SCHEMBL9306598

O=C(c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.64
CES1 P23141 1/20 0.64
TP53 P04637 1/20 0.62
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 5/20 0.60
TSHR P16473 4/20 0.60
GAA P10253 2/20 0.59
MAPT P10636 2/20 0.59
ALOX15 P16050 1/20 0.58
TDP2 O95551 2/20 0.53
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51

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
Dinitrophenylene SCHEMBL28053873 0.93 CES1 (0.62) CES2CES1TP53MEN1KMT2A
Phenol SCHEMBL27416283 0.92 TP53 (0.65) CES2CES1TP53MEN1KMT2A
SCHEMBL3234327 0.90 CES2 (0.68) CES2CES1TP53MEN1KMT2A
SCHEMBL181572 0.89 CES2 (0.78) CES2CES1TP53MEN1KMT2A
SCHEMBL8962645 0.88 CES2 (0.66) CES2CES1TP53MEN1KMT2A
SCHEMBL8962651 0.88 CES2 (0.66) CES2CES1TP53MEN1KMT2A
SCHEMBL333455 0.88 TP53 (0.73) CES2CES1TP53MEN1KMT2A
SCHEMBL8962468 0.88 CES2 (0.75) CES2CES1TP53MEN1KMT2A
SCHEMBL11758821 0.87 TP53 (0.77) CES2CES1TP53MEN1KMT2A
SCHEMBL11295596 0.86 TP53 (0.71) CES2CES1TP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190010268-A1 PHOTOACTIVATABLE FOULING-RESISTANT COPOLYMERS ARROW INTERNATIONAL, INC. (US) 2019-01-10 US disclosed
EP-3334767-A1 PHOTOACTIVATABLE FOULING-RESISTANT COPOLYMERS Arrow International, Inc. (US) 2018-06-20 EP disclosed
WO-2017030950-A1 PHOTOACTIVATABLE FOULING-RESISTANT COPOLYMERS ARROW INTERNATIONAL, INC. (US) 2017-02-23 WO disclosed
US-5308754-A Terbium compounds KANKARE JOUKO J 1994-05-03 US disclosed
US-4996347-A Anticoagulant FOURNIER INNOVATION ET SYNERGIE (FR) 1991-02-26 US disclosed
US-4877808-A ANTITHROMBOTICS FOURNIER INNOVATION ET SYNERGIE (FR) 1989-10-31 US disclosed