SCHEMBL9518626

SCHEMBL9518626

O=[N+]([O-])c1[nH]c(-c2ccc(I)cc2)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
GAA P10253 4/20 0.38
KDM4E B2RXH2 4/20 0.38
HTT P42858 3/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
GLA P06280 5/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
ATM Q13315 1/20 0.37
GCGR P47871 1/20 0.34
MAPK14 Q16539 1/20 0.34
SCN2A Q99250 1/20 0.33
KIF11 P52732 1/20 0.33
PTGS2 P35354 2/20 0.32
CDC7 O00311 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL8468817 0.66 AR (0.52) ALDH1A1HTTKMT2AGLAHPGD
SCHEMBL10939165 0.62 AR (0.47) ALDH1A1PDE7AAKR1C3AKR1C2CYP3A4
SCHEMBL31167302 0.60 MAPT (0.50) ALDH1A1KMT2AMAPTMEN1CRHBP
SCHEMBL1361170 0.60 CA1 (0.55) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL22353110 0.60 MAPT (0.56) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL3845967 0.59 GLA (0.42) GAAGLAAKR1C3AKR1C2AR
SCHEMBL1408443 0.59 PDE7A (0.50) ALDH1A1HTTKMT2AMAPTLMNA
SCHEMBL31601785 0.59 PDE7A (0.50) ALDH1A1HTTKMT2AMAPTLMNA
SCHEMBL19746948 0.59 PDE7A (0.47) ALDH1A1HTTKMT2ALMNAMEN1
SCHEMBL22353090 0.58 ABCC8 (0.51) ALDH1A1KMT2AMAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1026206-C Arylpyrrole insecticidal acaricidal and nematicidal agents and method for preparation thereof AMERICAN CYANAMID CO (US) 1994-10-19 CN disclosed
EP-0312723-B1 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID CO (US) 1993-12-22 EP disclosed
US-5010098-A Arylpyrrole insecticidal acaricidal and nematicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-04-23 US disclosed
US-4929634-A ARYLPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1990-05-29 US disclosed
CN-1039807-A Desinsection, kill mite, nematocides aryl-pyrrolidine and preparation method thereof AMERICAN CYANAMID CO (US) 1990-02-21 CN disclosed
EP-0347488-A1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1989-12-27 EP disclosed
EP-0312723-A2 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID COMPANY (US) 1989-04-26 EP disclosed