SCHEMBL24749772

SCHEMBL24749772

COc1ccc(OC2CCC(C(F)(F)F)CC2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
THRB P10828 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.40
RAB9A P51151 1/20 0.40
CYP3A4 P08684 2/20 0.39
APP P05067 2/20 0.38
CYP2C9 P11712 1/20 0.38
GAA P10253 1/20 0.37
MCHR1 Q99705 1/20 0.36
TUBB4A P04350 3/20 0.36
TUBB P07437 3/20 0.36
TUBA3C P0DPH7 3/20 0.36
TUBA1B P68363 3/20 0.36
TUBA4A P68366 3/20 0.36
TUBB4B P68371 3/20 0.36
TUBB3 Q13509 3/20 0.36
TUBB2A Q13885 3/20 0.36

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
SCHEMBL24751457 1.00 ALDH1A1 (0.49) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL24751472 1.00 ALDH1A1 (0.49) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL31694911 1.00 ALDH1A1 (0.49) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL31694830 1.00 ALDH1A1 (0.49) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL31694900 1.00 ALDH1A1 (0.49) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL24749759 0.84 ALDH1A1 (0.44) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL31694882 0.84 ALDH1A1 (0.44) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL24749771 0.82 PDE4A (0.43) MAPTGAAHTT
SCHEMBL24749768 0.82 PDE4A (0.43) MAPTGAAHTT
SCHEMBL31694801 0.82 PDE4A (0.43) MAPTGAAHTT

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
WO-2022219246-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2022-10-20 WO disclosed