SCHEMBL8680380

SCHEMBL8680380

COc1ccc2c(c1)OC(c1ccccc1)=C(c1ccccc1)C21C=Cc2c(ccc3cc([N+](=O)[O-])ccc23)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
HNF4A P41235 2/20 0.36
XDH P47989 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 4/20 0.34
ABCG2 Q9UNQ0 4/20 0.34
CYP2C9 P11712 2/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
CASP3 P42574 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MTNR1A P48039 1/20 0.33
NQO2 P16083 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL8682148 0.93 XDH (0.37) MAOBHNF4AXDHMEN1KMT2A
SCHEMBL619662 0.93 MAOB (0.38) MAOBHNF4AXDHMEN1KMT2A
SCHEMBL8680148 0.88 NPC1 (0.33) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL8685140 0.86 HTT (0.36) MEN1KMT2AMAPTABCG2CYP2C9
SCHEMBL8680336 0.78 SMN1; SMN2 (0.36) MEN1KMT2AMAPTABCG2CYP2C9
SCHEMBL8862663 0.77 SMN1; SMN2 (0.36) HNF4AMEN1KMT2AMAPTCYP3A4
SCHEMBL8685248 0.76 MEN1 (0.39) HNF4AMEN1KMT2AMAPTPOLB
SCHEMBL8680564 0.74 MEN1 (0.36) MAOBMEN1KMT2AMAPTABCG2
SCHEMBL2127986 0.73 PIN1 (0.34) MEN1KMT2AMAPTCYP2C9POLB
SCHEMBL8682681 0.72 HTT (0.37) MEN1KMT2AMAPTABCG2CYP2C9

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-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US claimed
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5710420-A Method for embedding and recovering machine-readable information XEROX CORPORATION (US) 1998-01-20 US disclosed
US-5633109-A Ink compositions with liposomes containing photochromic compounds XEROX CORPORATION (US) 1997-05-27 US disclosed
US-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed
US-5551973-A LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE XEROX CORPORATION (US) 1996-09-03 US disclosed