SCHEMBL9860652

SCHEMBL9860652

NCCc1ccc(N)c(I)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.47
TAAR5 O14804 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ADRA2A P08913 2/20 0.47
MAPT P10636 2/20 0.47
DRD2 P14416 2/20 0.47
DRD1 P21728 2/20 0.47
DRD4 P21917 2/20 0.47
DRD5 P21918 2/20 0.47
SLC6A2 P23975 2/20 0.47
MAPK1 P28482 2/20 0.47
DRD3 P35462 2/20 0.47
RECQL P46063 2/20 0.47
SLC6A3 Q01959 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
PNMT P11086 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
ADRB2 P07550 1/20 0.47
HTR1A P08908 1/20 0.47

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
SCHEMBL1853049 0.82 LOXL2 (0.44) KDM4EMAPTPNMTADRB2HTR1A
SCHEMBL6315559 0.81 KDM4E (0.47) TAAR1TAAR5KDM4EMAPTSLC6A2
SCHEMBL14675474 0.81 SKP2 (0.48) MAPTSLC6A3ALDH1A1TP53ADRB2
Hydrochloric Acid SCHEMBL23704180 0.80 LOXL2 (0.42) KDM4EMAPTPNMTALDH1A1ADRB2
Hydrochloric Acid SCHEMBL21408415 0.80 LOXL2 (0.42) KDM4EMAPTPNMTALDH1A1ADRB2
SCHEMBL1299504 0.79 GAA (0.54) KDM4EMAPTTDP1ALDH1A1ADRB2
SCHEMBL5255146 0.79 TAAR1 (0.52) TAAR1KDM4EADRA2AMAPTDRD2
SCHEMBL2735079 0.77 TAAR1 (0.67) TAAR1TAAR5KDM4EADRA2AMAPT
SCHEMBL4616776 0.77 TAAR1 (0.67) TAAR1TAAR5KDM4EADRA2AMAPT
SCHEMBL17186390 0.77 TAAR1 (0.50) TAAR1TAAR5KDM4EADRA2AMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0165630-B1 METHOD OF PREPARING A CHLORINATED, BROMINATED, RADIOBROMINATED, IODINATED AND/OR RADIOIODINATED, AROMATIC OR HETEROAROMATIC COMPOUND, AS WELL AS A KIT FOR PREPARING A DIAGNOSTIC COMPOSITION ON THE BASIS OF THIS COMPOUND MALLINCKRODT, INC.(a Missouri corporation) (US) 1989-10-18 EP claimed
EP-0165630-A2 Method of preparing a chlorinated, brominated, radiobrominated, iodinated and/or radioiodinated, aromatic or heteroaromatic compound, as well as a kit for preparing a diagnostic composition on the basis of this compound MALLINCKRODT, INC.(a Missouri corporation) (US) 1985-12-27 EP claimed
US-5021220-A Haluaromatic compound, water-soluble acid, copper salt acid-stable reducing agent MALLINCKRODT, INC. (US) 1991-06-04 US disclosed
US-4942231-A CATALYTIC HALOGENATION IN THE PRESENCE OF A REDUCING AGENT AND ACID MEDIUM MALLINCKRODT, INC. (US) 1990-07-17 US disclosed
EP-0165630-B1 METHOD OF PREPARING A CHLORINATED, BROMINATED, RADIOBROMINATED, IODINATED AND/OR RADIOIODINATED, AROMATIC OR HETEROAROMATIC COMPOUND, AS WELL AS A KIT FOR PREPARING A DIAGNOSTIC COMPOSITION ON THE BASIS OF THIS COMPOUND MALLINCKRODT, INC.(a Missouri corporation) (US) 1989-10-18 EP disclosed
EP-0165630-A2 Method of preparing a chlorinated, brominated, radiobrominated, iodinated and/or radioiodinated, aromatic or heteroaromatic compound, as well as a kit for preparing a diagnostic composition on the basis of this compound MALLINCKRODT, INC.(a Missouri corporation) (US) 1985-12-27 EP disclosed