SCHEMBL7388602

SCHEMBL7388602

O=C(CCl)Nc1ccc(C(F)(F)F)cc1CO

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
CYP3A4 P08684 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP2D6 P10635 2/20 0.42
ACHE P22303 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4898792 0.89 KIF11 (0.48) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL4044366 0.83 MEN1 (0.45) ALDH1A1HTTMEN1KMT2ACYP1A2
SCHEMBL4891667 0.83 HDAC2 (0.47) ALDH1A1HTTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL25037265 0.82 ALDH1A1 (0.67) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL30965893 0.82 ALDH1A1 (0.67) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL940712 0.82 ALDH1A1 (0.52) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL25037396 0.82 ACHE (0.57) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL31082029 0.82 KIF11 (0.51) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL25334235 0.80 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL22897720 0.79 TMPRSS4 (0.54) ALDH1A1HTTMEN1KMT2ACYP1A2

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-1000067-B1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-10-23 EP disclosed
US-6369221-B1 Thiazolobenzoheterocycles, preparation and medicines containing same AVENTIS PHARMA S.A. (FR) 2002-04-09 US disclosed
EP-1000067-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME Aventis Pharma S.A. (FR) 2000-05-17 EP disclosed
WO-1999005147-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1999-02-04 WO disclosed