SCHEMBL8773849

SCHEMBL8773849

CCC(=O)Nc1cc(Cl)ccc1F

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
ALDH1A1 P00352 4/20 0.67
KDM4E B2RXH2 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
TSHR P16473 4/20 0.59
POLB P06746 3/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
KCNT1 Q5JUK3 1/20 0.48
HTT P42858 2/20 0.48

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
SCHEMBL19464682 0.88 ALDH1A1 (0.60) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL13018932 0.84 SMN1; SMN2 (0.59) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL17680989 0.84 KMT2A (0.77) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL23417746 0.83 TSHR (0.51) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL9620133 0.83 GAA (0.77) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5186769 0.83 RAB9A (0.62) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL21765907 0.81 TSHR (0.51) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL11578349 0.81 HPGD (0.65) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL9403860 0.80 KDM4E (0.59) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL30296233 0.80 KDM4E (0.59) MEN1KMT2AALDH1A1KDM4EPOLB

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
EP-0470669-B1 Preparation of fluorophenols, fluorohalophenols, N-acylfluoroanilines, and N-acylfluorohaloanilines DOWELANCO (US) 1997-11-12 EP disclosed
US-5164502-A Fluorinating agents DOWELANCO (US) 1992-11-17 US disclosed
US-5116982-A Fluorination DOWELANCO (US) 1992-05-26 US disclosed
EP-0470669-A2 Preparation of fluorophenols, fluorohalophenols, N-acylfluoroanilines, and N-acylfluorohaloanilines DOWELANCO (US) 1992-02-12 EP disclosed