SCHEMBL9440388

SCHEMBL9440388

Fc1ccc(Sc2ccc(I)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
APP P05067 1/20 0.42
MAPT P10636 2/20 0.41
NR1H2 P55055 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPK13 O15264 1/20 0.36
GCGR P47871 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL5887631 0.86 CYP3A4 (0.47) MEN1KMT2AAPPMAPTNR1H2
SCHEMBL576260 0.86 MEN1 (0.48) MEN1KMT2ACYP1A2CYP2C9CYP2C19
Fluoride SCHEMBL28773061 0.83 CYP3A4 (0.45) MEN1KMT2AAPPMAPTNR1H2
SCHEMBL1216 0.83
SCHEMBL18472615 0.83
SCHEMBL7216161 0.80
Phosphine SCHEMBL28954456 0.80
Bromide SCHEMBL9419856 0.80
SCHEMBL4115867 0.78 MEN1 (0.44) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11980111 0.76 MAOA (0.50) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276037-A Antiinflammatory agents, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-04 US disclosed
US-5272173-A 5-lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-21 US disclosed
US-5225438-A Lipoxygenase inhibitors for antiinflammatory agents or antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
EP-0488602-A1 Aryl derivatives ZENECA LIMITED (GB) 1992-06-03 EP disclosed