SCHEMBL31723197

SCHEMBL31723197

COc1cc(N)c(C)c(Nc2ccccc2OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
MAPT P10636 8/20 0.50
ALDH1A1 P00352 7/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTPN11 Q06124 2/20 0.49
RECQL P46063 2/20 0.49
DUSP3 P51452 1/20 0.49
PTPN5 P54829 1/20 0.49
GAA P10253 6/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
MAPK10 P53779 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL29454212 1.00 AKR1C3 (0.51) AKR1C3AKR1C2MAPTALDH1A1MAPK1
SCHEMBL22232473 1.00 AKR1C3 (0.51) AKR1C3AKR1C2MAPTALDH1A1MAPK1
SCHEMBL22232236 0.86 PTPN11 (0.40) AKR1C3AKR1C2MAPTALDH1A1MAPK1
SCHEMBL29454129 0.86 PTPN11 (0.40) AKR1C3AKR1C2MAPTALDH1A1MAPK1
SCHEMBL1922107 0.77 MAPT (0.62) AKR1C3AKR1C2MAPTALDH1A1MAPK1
SCHEMBL3191755 0.76 MAPT (0.69) AKR1C3AKR1C2MAPTALDH1A1MAPK1
SCHEMBL29454185 0.74 KCNH2 (0.43) MAPTALDH1A1MAPK1L3MBTL1RECQL
SCHEMBL29454092 0.74 ABCG2 (0.42) MAPTALDH1A1MAPK1L3MBTL1RECQL
SCHEMBL5923798 0.74 MAPT (0.67) AKR1C3AKR1C2MAPTALDH1A1MAPK1
SCHEMBL9120543 0.72 MAPT (0.55) AKR1C3AKR1C2MAPTALDH1A1MAPK1

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-4647426-A2 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI Industries Ltd. (IN) 2025-11-12 EP claimed