SCHEMBL9846380

SCHEMBL9846380

O=C(O)C(=C(OCOc1ccccc1F)Oc1ccncn1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.37
KDM4E B2RXH2 4/20 0.35
NOTUM Q6P988 1/20 0.35
KMT2A Q03164 5/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NPC1 O15118 1/20 0.31
TBXA2R P21731 2/20 0.31

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
SCHEMBL9846369 0.75 KMT2A (0.33) MRGPRX4KDM4ENOTUMKMT2APKM
SCHEMBL9846388 0.72 KMT2A (0.38) KDM4EKMT2APKMHTTALDH1A1
SCHEMBL9846375 0.68 GCK (0.38) MRGPRX4KDM4EALDH1A1LMNAMETAP2
SCHEMBL9846273 0.65 POLB (0.36) NOTUMKMT2APKMHTTGFER
SCHEMBL9846331 0.63 LMNA (0.43) KDM4EKMT2AALDH1A1HPGDL3MBTL1
SCHEMBL10376804 0.62 KMT2A (0.49) KMT2AHTTGFERALDH1A1L3MBTL1
SCHEMBL3657194 0.62 HSP90AA1 (0.41) KMT2APKMHTTGFERNPC1
Pyrrole SCHEMBL5264669 0.60 P2RX7 (0.37) KMT2APKMHTTGFERALDH1A1
SCHEMBL28758529 0.60 ALPI (0.47) PKM
SCHEMBL28109373 0.59 HSP90AA1 (0.49) KDM4EKMT2AHTTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415569-A2 Agrochemical compositions ZENECA LIMITED (GB) 1991-03-06 EP claimed