SCHEMBL5854609

SCHEMBL5854609

C[SiH](C)[Zr](Cl)(Cl)(NC(=O)c1ccccc1)C1C=Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 4/20 0.32
ATM Q13315 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
POLB P06746 1/20 0.32
HDAC3 O15379 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
IDO1 P14902 1/20 0.32
ALOX15 P16050 1/20 0.32
HDAC1 Q13547 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL5854537 0.89 SMN1; SMN2 (0.41) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL5853098 0.88 POLB (0.33) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5853044 0.86 ATM (0.32) MEN1KMT2AHTTLMNAATM
SCHEMBL5855494 0.86 HDAC8 (0.38) MEN1KMT2ASMN1; SMN2LMNAHDAC3
SCHEMBL5854772 0.86 BRD4 (0.30)
SCHEMBL5852517 0.84 NPC1 (0.38) HTTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL5854517 0.84 TAS1R3 (0.38)
SCHEMBL5699458 0.83 HDAC3 (0.36) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL5854556 0.82 RET (0.31) MEN1KMT2AALOX15MAPK1
SCHEMBL5853338 0.82 ALDH1A1 (0.33) MAPTPOLBKDM4EALDH1A1GAA

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
US-7037989-B2 Copolymers of ethylene and/or α-olefins and vicinally disubstituted olefins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-05-02 US disclosed
WO-2004106394-A1 COPOLYMERS OF ETHYLENE AND/OR α-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO disclosed
US-20040242814-A1 COPOLYMERS OF ETHYLENE AND/OR ALPHA-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed