SCHEMBL9507979

SCHEMBL9507979

CCCCCNc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.58
KMT2A Q03164 3/20 0.56
MAPT P10636 5/20 0.56
CDK2 P24941 2/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 1/20 0.56
TRPA1 O75762 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
THPO P40225 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
KAT2B Q92831 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL18113450 0.91 KMT2A (0.60) HCAR3KMT2AMAPTCDK2MEN1
SCHEMBL3843127 0.90 KMT2A (0.71) HCAR3KMT2AMAPTCDK2MEN1
SCHEMBL7371656 0.88 KMT2A (0.70) HCAR3KMT2AMAPTCDK2MEN1
SCHEMBL11318826 0.88 KMT2A (0.70) HCAR3KMT2AMAPTCDK2MEN1
SCHEMBL9206969 0.85 MAPT (0.57) HCAR3KMT2AMAPTCDK2MEN1
SCHEMBL30309524 0.85 MAPT (0.57) HCAR3KMT2AMAPTCDK2MEN1
SCHEMBL6586156 0.84 SMN1; SMN2 (0.65) HCAR3KMT2AMAPTMEN1ALDH1A1
SCHEMBL6618197 0.82 KMT2A (0.60) KMT2AMAPTCDK2MEN1ALDH1A1
SCHEMBL6374917 0.82 MAPT (0.82) KMT2AMAPTCDK2MEN1ALDH1A1
SCHEMBL31365177 0.81 SMN1; SMN2 (0.52) HCAR3MAPTALDH1A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0317645-B1 4H-3,1-BENZOXAZIN-4-ONE COMPOUNDS AND SERINE PROTEASE-INHIBITING MEDICINAL COMPOSITION CONTAINING SAME TEIJIN LIMITED (JP) 1993-09-15 EP disclosed
US-4980287-A ANTIINFLAMMATORY AGENTS; INHIBITOR OF DEGENERATION AND DESTRUCTION OF TISSUES TEIJIN LIMITED (JP) 1990-12-25 US disclosed
EP-0317645-A1 4H-3,1-BENZOXAZIN-4-ONE COMPOUNDS AND SERINE PROTEASE-INHIBITING MEDICINAL COMPOSITION CONTAINING SAME TEIJIN LIMITED (JP) 1989-05-31 EP disclosed