SCHEMBL19983947

SCHEMBL19983947

COc1ccc(Nc2ccc3c(C(=O)N(C)C)c[nH]c3c2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.48
MAPT P10636 6/20 0.46
PRKAB2 O43741 2/20 0.44
PRKAG1 P54619 2/20 0.44
PRKAA2 P54646 2/20 0.44
PRKAA1 Q13131 2/20 0.44
PRKAG3 Q9UGI9 2/20 0.44
PRKAG2 Q9UGJ0 2/20 0.44
PRKAB1 Q9Y478 2/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR4A2 P43354 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GFER P55789 1/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
MAPK14 Q16539 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
SCHEMBL19983934 0.81 TUBB1 (0.41) TUBB1MAPTALDH1A1L3MBTL1NR4A2
SCHEMBL19984304 0.80 NR4A2 (0.38) TUBB1NR4A2NPC1RAB9AMAPK14
SCHEMBL19983834 0.78 PRKAG1 (0.42) TUBB1MAPTPRKAB2PRKAG1PRKAA2
SCHEMBL19984228 0.75 NR4A2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19983830 0.75 HTR2A (0.48) MAPTALDH1A1MEN1KMT2AMAPK14
SCHEMBL19983975 0.74 ALK (0.40) NR4A2MEN1KMT2AMAPK14
SCHEMBL25229260 0.70 MAPT (0.63) TUBB1MAPTALDH1A1L3MBTL1NR4A2
SCHEMBL1003506 0.70 CPS1 (0.58) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL30523138 0.69 MAPT (0.57) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL31501108 0.69 NR4A2 (0.78) TUBB1MAPTALDH1A1L3MBTL1NR4A2

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-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed