SCHEMBL29791306

SCHEMBL29791306

Cc1cc(N)c(F)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.55
TSHR P16473 3/20 0.55
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 8/20 0.42
CD44 P16070 1/20 0.42
TDP1 Q9NUW8 3/20 0.36
CASP1 P29466 1/20 0.36
TP53 P04637 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
PKM P14618 1/20 0.33
UHRF1 Q96T88 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL3873719 1.00 CYP3A4 (0.55) CYP3A4TSHRMAPK1ALDH1A1CD44
SCHEMBL457125 0.86 CYP3A4 (0.52) CYP3A4TSHRMAPK1ALDH1A1CD44
SCHEMBL29838774 0.86 ALDH1A1 (0.40) CYP3A4TSHRMAPK1ALDH1A1CD44
SCHEMBL28606707 0.86 CYP3A4 (0.60) CYP3A4TSHRMAPK1ALDH1A1CD44
SCHEMBL29358157 0.86 CYP3A4 (0.52) CYP3A4TSHRMAPK1ALDH1A1CD44
SCHEMBL16660691 0.86 CYP3A4 (0.46) CYP3A4TSHRMAPK1ALDH1A1CD44
SCHEMBL1479690 0.86 ALDH1A1 (0.40) CYP3A4TSHRMAPK1ALDH1A1CD44
SCHEMBL1548535 0.80 CYP3A4 (0.60) CYP3A4TSHRMAPK1ALDH1A1CD44
SCHEMBL717789 0.79 ALDH1A1 (0.36) CYP3A4TSHRMAPK1ALDH1A1CD44
SCHEMBL5390700 0.79 CD44 (0.65) CYP3A4TSHRMAPK1ALDH1A1CD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117242060-A Isoindolinone compounds 蒙特罗萨医疗公司 2023-12-15 CN disclosed
EP-4277901-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics, Inc. (US) 2023-11-22 EP disclosed
WO-2022152821-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2022-07-21 WO disclosed