SCHEMBL9769741

SCHEMBL9769741

CCOC(=O)c1ccc(-n2oc(-c3ccccc3)c(CCl)c2=O)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
MAPT P10636 6/20 0.45
RAB9A P51151 2/20 0.45
PKM P14618 2/20 0.45
NPC1 O15118 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGER4 P35408 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL9769726 0.87 KMT2A (0.44) ALDH1A1MAPTKMT2AKDM4ELMNA
SCHEMBL9585913 0.81 KMT2A (0.47) ALDH1A1MAPTRAB9APKMNPC1
SCHEMBL9769756 0.76 TSHR (0.48) KMT2ALMNAMEN1
SCHEMBL9586432 0.76 KMT2A (0.52) ALDH1A1MAPTRAB9APKMNPC1
SCHEMBL4719235 0.73 MAPT (0.55) ALDH1A1MAPTRAB9APKMNPC1
SCHEMBL9587684 0.73 KMT2A (0.48) ALDH1A1MAPTRAB9APKMNPC1
SCHEMBL9769718 0.72 KMT2A (0.43) KMT2ALMNAMEN1
SCHEMBL10467473 0.72 KMT2A (0.44) ALDH1A1MAPTRAB9APKMNPC1
SCHEMBL3794434 0.72 KMT2A (0.57) ALDH1A1MAPTRAB9APKMNPC1
SCHEMBL12292885 0.71 GAA (0.59) ALDH1A1MAPTRAB9APKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071994-A Intermediates for positive working photographic compounds, analgesics; anti-inflammatory agents FUJI PHOTO FILM CO., LTD. (JP) 1991-12-10 US disclosed
US-4950764-A HERBICIDES, BACTERICIDES, ANALGESICS, ANTIINFLAMMATORY AGENT FUJI PHOTO FILM CO., LTD. (JP) 1990-08-21 US disclosed