SCHEMBL7941876

SCHEMBL7941876

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr]C1C(C)=Cc2c(-c3ccccc3)cccc21.C[Si](C)(C)C(=O)N[InH]NC(=O)[Si](C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.32
NTRK3 Q16288 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
HTT P42858 2/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HTR2B P41595 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
HNF4A P41235 1/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7638162 0.92 MAOB (0.33) MAPTLMNAMEN1KMT2A
SCHEMBL7639656 0.88 NTRK1 (0.32) NTRK1NTRK3NR1H4TSHRHSD17B10
SCHEMBL7983533 0.84 PDCD1 (0.34) NTRK1NTRK3NR1H4TSHRHSD17B10
Hydrochloric Acid SCHEMBL7639013 0.83 NTRK1 (0.32) NTRK1NTRK3TSHRHSD17B10HTT
SCHEMBL31253552 0.83 PDCD1 (0.35) TSHRHSD17B10HTR2BTMEM97HNF4A
SCHEMBL3404398 0.83 PDCD1 (0.35) TSHRHSD17B10HTR2BTMEM97HNF4A
SCHEMBL14905713 0.81 NPC1 (0.33) NR1H4TSHRALDH1A1
SCHEMBL7944863 0.80
Hydrochloric Acid SCHEMBL7943365 0.80 PDCD1 (0.33) HNF4A
SCHEMBL5678404 0.79 PDCD1 (0.33)

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
WO-2001046201-A1 GALLIUM OR INDIUM-BRIDGED GROUP 4 METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 2001-06-28 WO disclosed