SCHEMBL8049772

SCHEMBL8049772

CCCN(c1ccncc1)c1csc2cc(C(F)(F)F)ccc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.36
KIF11 P52732 3/20 0.35
SLC6A2 P23975 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
TRPA1 O75762 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
MPL P40238 1/20 0.32
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31
PPARG P37231 1/20 0.31
CRHR1 P34998 1/20 0.31
ATP4A P20648 1/20 0.30
ATP4B P51164 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
Hydrochloric Acid SCHEMBL8039444 0.99 POLQ (0.35) POLQKIF11SLC6A2CYP19A1CYP11B1
SCHEMBL9425844 0.93 NR1H2 (0.37) POLQKIF11SLC6A2CYP19A1CYP11B1
Hydrochloric Acid SCHEMBL8050474 0.92 NR1H2 (0.36) POLQKIF11CYP19A1CYP11B1CYP11B2
SCHEMBL8056490 0.91 POLQ (0.36) POLQKIF11SLC6A2CYP19A1CYP11B1
SCHEMBL8038767 0.91 POLQ (0.37) POLQKIF11CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8050511 0.90 POLQ (0.35) POLQKIF11SLC6A2CYP19A1CYP11B1
Hydrochloric Acid SCHEMBL8049814 0.89 POLQ (0.37) POLQKIF11CYP19A1CYP11B1CYP11B2
SCHEMBL8050015 0.85 POLQ (0.35) POLQKIF11SLC6A2CYP19A1CYP11B1
SCHEMBL7337994 0.84 SLC6A2 (0.34) SLC6A2
Hydrochloric Acid SCHEMBL8056440 0.84 POLQ (0.35) POLQKIF11SLC6A2CYP19A1CYP11B1

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
US-6022880-A Substituted pyridylamino indoles HOECHST MARION ROUSSEL, INC. (US) 2000-02-08 US disclosed
US-5328920-A Alleviating memory dysfunctions HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-07-12 US disclosed