SCHEMBL9737791

SCHEMBL9737791

CCOC(=O)N1CCC(CBr)=C(CBr)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 4/20 0.42
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ATM Q13315 2/20 0.41
LMNA P02545 2/20 0.41
PABPC1 P11940 1/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 2/20 0.41
HTT P42858 2/20 0.41
RXFP1 Q9HBX9 3/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL568818 0.75 TSHR (0.47) TSHRMAPTKDM4EGAASMN1; SMN2
SCHEMBL1713222 0.72 TSHR (0.57) TSHRMAPTKDM4EGAASMN1; SMN2
SCHEMBL11072823 0.71 TSHR (0.55) TSHRMAPTKDM4EGAASMN1; SMN2
SCHEMBL158497 0.71 TSHR (0.55) TSHRMAPTKDM4EGAASMN1; SMN2
SCHEMBL28537408 0.70 TSHR (0.50) TSHRMAPTKDM4EGAASMN1; SMN2
SCHEMBL18092279 0.70 MAPT (0.42) TSHRMAPTKDM4EGAASMN1; SMN2
SCHEMBL9736657 0.70 TSHR (0.42) TSHRMAPTKDM4EGAASMN1; SMN2
SCHEMBL12994041 0.69 TSHR (0.53) TSHRMAPTKDM4EGAASMN1; SMN2
Hydrochloric Acid SCHEMBL27776511 0.69 TSHR (0.53) TSHRMAPTKDM4EGAASMN1; SMN2
SCHEMBL7447957 0.69 MAPT (0.45) TSHRMAPTKDM4EGAASMN1; SMN2

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-5089621-A Intermediates for cephalosporins or quinolone derivative antibiotics KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-02-18 US disclosed
EP-0424852-A1 Diazabicycloamine compounds and a process for their preparation KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1991-05-02 EP disclosed