SCHEMBL29601797

SCHEMBL29601797

C[Hf+2]C.Cc1cc(-c2ccccc2-c2csc(-c3nc(-c4ccccc4-c4cc(C)cc(-n5c6ccccc6c6ccccc65)c4[O-])cs3)n2)c([O-])c(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MAPT P10636 5/20 0.36
MEN1 O00255 4/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 3/20 0.36
ATM Q13315 1/20 0.36
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
BRCA1 P38398 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP19A1 P11511 3/20 0.34
SREBF2 Q12772 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL29602175 0.89 RAB9A (0.34) KMT2AMAPTMEN1KDM4ENPC1
SCHEMBL29601529 0.87 MAPT (0.34) KMT2AMAPTMEN1KDM4ENPC1
SCHEMBL29601807 0.78 SREBF2 (0.48) KMT2AMAPTMEN1KDM4ENPC1
SCHEMBL29602179 0.72 BRD4 (0.31)
SCHEMBL29601274 0.71 SREBF2 (0.45) KMT2AMAPTMEN1KDM4ENPC1
SCHEMBL29601736 0.70 BRD4 (0.31)
SCHEMBL30360626 0.68 PARP1 (0.36) KMT2AMAPTMEN1KDM4ENPC1
SCHEMBL22320338 0.68 TUBB4A (0.37) MAPTKDM4ENPC1RAB9AHPGD
SCHEMBL30423242 0.68 TUBB4A (0.37) MAPTKDM4ENPC1RAB9AHPGD
SCHEMBL30959015 0.68 PARP1 (0.36) KMT2AMAPTMEN1KDM4ENPC1

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
EP-4232484-A1 MULTIDENTATE LEWIS BASE CATALYSTS AND METHODS FOR USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2023-08-30 EP disclosed
WO-2022087121-A1 MULTIDENTATE LEWIS BASE CATALYSTS AND METHODS FOR USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-04-28 WO disclosed