SCHEMBL21909800

SCHEMBL21909800

O=C(O)c1ccc(SN2CCCc3ccccc32)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
MAPT P10636 2/20 0.40
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
AVPR2 P30518 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
AKR1C3 P42330 1/20 0.40

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
SCHEMBL21376785 0.81 MEN1 (0.54) SMN1; SMN2MEN1KMT2AMAPTNOTUM
SCHEMBL21376788 0.80 AKR1C3 (0.54) SMN1; SMN2MEN1KMT2AMAPTNOTUM
SCHEMBL28558981 0.76 MEN1 (0.47) SMN1; SMN2MEN1KMT2AMAPTNOTUM
SCHEMBL21909752 0.74 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL21376787 0.74 AKR1C3 (0.53) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL665206 0.73 KMT2A (0.74) MEN1KMT2AMAPTAKR1C3
SCHEMBL21376579 0.70 MEN1 (0.42) ATMSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL24286547 0.70 CYP3A4 (0.41) SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL21376800 0.67 RAB9A (0.47) MEN1KMT2AMAPT
SCHEMBL21909803 0.67 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1POLB

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-3626240-A1 PROCESS OF PREPARATION OF A N-ARYL BENZYL SULFONAMIDE SUBSTITUTED WITH AN AMIDO GROUP StemSynergy Therapeutics, Inc. (US) 2020-03-25 EP disclosed