SCHEMBL9823869

SCHEMBL9823869

[CH]=Cc1ccc(OCC(F)(F)C(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
ACACB O00763 2/20 0.35
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
CFTR P13569 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL3036856 0.83 SMN1; SMN2 (0.47) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9823871 0.83 HTT (0.44) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9823527 0.82 ALDH1A1 (0.42) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5384421 0.77 HTT (0.50) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6944585 0.77 HTT (0.47) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1710061 0.77 KMT2A (0.51) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3885645 0.77 HTT (0.47) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7769868 0.77 HTT (0.47) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8419105 0.76 HTT (0.40) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8419100 0.76 HTT (0.40) HTTKMT2ASMN1; SMN2ALDH1A1MAPT

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-0174769-B1 ANTIFUNGAL AZOLE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-21 EP claimed
US-4925863-A 1,3-DI(1,2,4-TRIAZOL-1-YL)-2-PROPANOL DERIVATIVES SUBSTITUTED WITH A STYRYL GROUP IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-15 US claimed
EP-0174769-A1 Antifungal azole compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-03-19 EP claimed
EP-0174769-B1 ANTIFUNGAL AZOLE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-21 EP disclosed
US-4925863-A 1,3-DI(1,2,4-TRIAZOL-1-YL)-2-PROPANOL DERIVATIVES SUBSTITUTED WITH A STYRYL GROUP IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-15 US disclosed
EP-0174769-A1 Antifungal azole compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-03-19 EP disclosed