SCHEMBL29954411

SCHEMBL29954411

O=CCc1cc(Cl)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSP90AA1 P07900 2/20 0.38
IDO1 P14902 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC22A1 O15245 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSPD1 P10809 1/20 0.38
HSPA5 P11021 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL2491060 0.86 TP53 (0.42) KMT2AIDO1TDP1CYP3A4ERCC1
SCHEMBL29957450 0.86 TP53 (0.42) KMT2AIDO1TDP1CYP3A4ERCC1
SCHEMBL4589688 0.83 IDO1 (0.40) MAPTMEN1KMT2AHSP90AA1IDO1
SCHEMBL3121227 0.81 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29954553 0.81 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3507727 0.81 TDP1 (0.43) MAPTMEN1KMT2AHSP90AA1IDO1
SCHEMBL18405463 0.79 MEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1440767 0.79 TAAR1 (0.34) MAPTIDO1HTTSMN1; SMN2
SCHEMBL2597823 0.78 HIF1A (0.61) MAPTMEN1KMT2AHSP90AA1IDO1
SCHEMBL4429449 0.78 TAAR1 (0.38) HTTSMN1; SMN2ALDH1A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed