SCHEMBL24196886

SCHEMBL24196886

CCCN[S+]([O-])c1ccc(C)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
ALDH1A1 P00352 5/20 0.33
TDP1 Q9NUW8 2/20 0.32
ACHE P22303 1/20 0.32
LMNA P02545 1/20 0.32
ALB P02768 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ADAM17 P78536 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL28446477 0.89 HPGD (0.40) MAPTALDH1A1TDP1LMNAALB
SCHEMBL19362577 0.85 L3MBTL1 (0.45) ALDH1A1TDP1LMNAALBCYP2C9
SCHEMBL8240628 0.82 MMP13 (0.36) MAPTALDH1A1TDP1ACHELMNA
SCHEMBL24196887 0.82 CA2 (0.34) MAPTALDH1A1TDP1LMNACYP2C9
SCHEMBL24196865 0.82 SIGMAR1 (0.36) MAPTLMNACA12CA9L3MBTL1
SCHEMBL13985325 0.79 KAT2B (0.38) MAPTALDH1A1
SCHEMBL24196900 0.79 HDAC1 (0.37) MAPTALDH1A1LMNATSHRCA2
SCHEMBL24196866 0.78 MEN1 (0.43) ALDH1A1LMNACA2MEN1KMT2A
SCHEMBL12180351 0.76 ACHE (0.40) MAPTALDH1A1TDP1ACHELMNA
SCHEMBL24196873 0.75 ALDH1A1 (0.36) MAPTALDH1A1LMNACYP2C9HPGD

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-2022008475-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2022-01-13 WO disclosed