SCHEMBL21376583

SCHEMBL21376583

O=C(Nc1cc(-c2ccc(F)cc2)n[nH]1)c1ccc(SN2CCCc3ccccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RORC P51449 2/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
CREBBP Q92793 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
SCHEMBL21376790 0.86 MEN1 (0.38) MAPTLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL665103 0.82 RORC (0.59) MAPTLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL29978121 0.82 RORC (0.59) MAPTLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL21376808 0.75 RAB9A (0.54) MAPTLMNAALDH1A1MAPK1RAB9A
SCHEMBL28558981 0.74 MEN1 (0.47) MAPTLMNAALDH1A1MAPK1RAB9A
SCHEMBL21376607 0.73 MEN1 (0.37) MAPTLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL664968 0.73 L3MBTL1 (0.60) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL29977930 0.73 L3MBTL1 (0.60) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL21376507 0.73 SMN1; SMN2 (0.62) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL21376321 0.73 MAPT (0.52) MAPTRAB9ATP53

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 2 patents. 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
EP-2403499-B1 METHODS AND COMPOSITIONS FOR USE IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS INC (US) 2019-09-18 EP disclosed