SCHEMBL20036620

SCHEMBL20036620

C=C(O/C(C)=C/C(=C)N1CCCC1=O)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
RECQL P46063 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.34
PER2 O15055 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MITF O75030 1/20 0.34
CYP3A4 P08684 1/20 0.33
IDO1 P14902 1/20 0.32
KCNH2 Q12809 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
SCHEMBL14539264 0.74 MAPT (0.44) MEN1KMT2AMAPTRECQLKDM4E
SCHEMBL18808881 0.71 SMN1; SMN2 (0.36) MAPTCYP1A2CYP2C19LMNASMN1; SMN2
SCHEMBL19262505 0.70 SMN1; SMN2 (0.38) MAPTCYP1A2CYP2C19LMNASMN1; SMN2
SCHEMBL19262427 0.67 ALDH1A1 (0.36) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL9859442 0.67 MAPT (0.40) MEN1KMT2AMAPTRECQLKDM4E
SCHEMBL18400310 0.66 PTGS2 (0.33) MEN1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL18809600 0.66 LMNA (0.38) LMNASMN1; SMN2
SCHEMBL18809216 0.65 SMN1; SMN2 (0.41) CYP1A2LMNASMN1; SMN2
SCHEMBL27551581 0.65 MAPT (0.50) MEN1KMT2AMAPTRECQLKDM4E
SCHEMBL10567241 0.65 CES2 (0.46) LMNASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753618-B1 HETEROCYCLIC-SUBSTITUED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed