SCHEMBL28814932

SCHEMBL28814932

C1=C(c2ccccc2)Cc2ccc(-c3ccccc3)cc21.Cl[Zr]Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP19A1 P11511 1/20 0.40
IP6K1 Q92551 1/20 0.37
IP6K3 Q96PC2 1/20 0.37
TDP2 O95551 1/20 0.37
TYRO3 Q06418 1/20 0.35
NTRK2 Q16620 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
CCR5 P51681 3/20 0.33
NPC1 O15118 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL28239652 0.90 TDP2 (0.39) CYP11B1CYP11B2CYP19A1IP6K1IP6K3
Hydrochloric Acid SCHEMBL28814933 0.90 CYP11B2 (0.46) CYP11B1CYP11B2CYP19A1IP6K1IP6K3
SCHEMBL19432718 0.85 MMP3 (0.48) CYP11B1CYP11B2CYP19A1TDP2MEN1
SCHEMBL7178824 0.83 PTGS2 (0.42) CYP11B1CYP11B2CYP19A1IP6K1IP6K3
SCHEMBL29672902 0.83 PTGS2 (0.42) CYP11B1CYP11B2CYP19A1IP6K1IP6K3
SCHEMBL30712625 0.81 PTGS2 (0.41) CYP11B1CYP11B2CYP19A1IP6K1IP6K3
SCHEMBL30712626 0.81 PTGS2 (0.41) CYP11B1CYP11B2CYP19A1IP6K1IP6K3
Hydrochloric Acid SCHEMBL7177923 0.80 TYRO3 (0.41) CYP11B1CYP11B2CYP19A1IP6K1IP6K3
SCHEMBL6285180 0.78 CYP11B2 (0.61) CYP11B1CYP11B2CYP19A1IP6K1IP6K3
SCHEMBL8058170 0.78 CYP11B2 (0.61) CYP11B1CYP11B2CYP19A1IP6K1IP6K3

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
CN-104093749-A Catalyst composition and process for preparing the same SAUDI BASIC IND CORP SABIC 2014-10-08 CN disclosed
CN-104080821-A Catalyst composition and method for preparing the same SAUDI BASIC IND CORP 2014-10-01 CN disclosed