SCHEMBL29601529

SCHEMBL29601529

Cc1cc(-c2ccccc2-c2csc(-c3nc(-c4ccccc4-c4cc(C)cc(-n5c6ccccc6c6ccccc65)c4[O-])cs3)n2)c([O-])c(-n2c3ccccc3c3ccccc32)c1.c1ccc(C[Zr+2]Cc2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.34
KMT2A Q03164 7/20 0.34
MEN1 O00255 5/20 0.34
KDM4E B2RXH2 4/20 0.34
NPC1 O15118 4/20 0.34
ATM Q13315 2/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
SREBF2 Q12772 2/20 0.32
ALDH1A1 P00352 4/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
TP53 P04637 1/20 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
SCHEMBL29602175 0.89 RAB9A (0.34) MAPTKMT2AMEN1KDM4ENPC1
SCHEMBL29601797 0.87 KMT2A (0.36) MAPTKMT2AMEN1KDM4ENPC1
SCHEMBL29601736 0.84 BRD4 (0.31)
SCHEMBL29602179 0.73 BRD4 (0.31)
SCHEMBL29601274 0.71 SREBF2 (0.45) MAPTKMT2AMEN1KDM4ENPC1
SCHEMBL29601807 0.69 SREBF2 (0.48) MAPTKMT2AMEN1KDM4ENPC1
SCHEMBL30360626 0.64 PARP1 (0.36) MAPTKMT2AMEN1KDM4ENPC1
SCHEMBL22320338 0.63 TUBB4A (0.37) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL30423242 0.63 TUBB4A (0.37) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL30959015 0.63 PARP1 (0.36) MAPTKMT2AMEN1KDM4ENPC1

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