SCHEMBL21834646

SCHEMBL21834646

CN1CCN(CCCOc2ccc(-c3csc(N(C)C(=O)C4(CC(=O)O)Cc5ccccc5C4)n3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ATP4A P20648 4/20 0.47
▸ ATP4B P51164 4/20 0.47
▸ CXCR1 P25024 4/20 0.46
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ROCK1 Q13464 1/20 0.43
▸ DRD3 P35462 2/20 0.41
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL21834567 0.93 MAPK1 (0.47) RAB9ANPC1LMNASMN1; SMN2ATP4A
SCHEMBL21834702 0.89 LMNA (0.45) RAB9ANPC1LMNASMN1; SMN2ATP4A
SCHEMBL21834580 0.87 KMT2A (0.49) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL21834645 0.84 NPC1 (0.54) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL21834561 0.82 NPC1 (0.49) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL21834547 0.82 KMT2A (0.43) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL21812611 0.82 ATP4A (0.47) RAB9ANPC1ATP4AATP4BCXCR1
SCHEMBL21834637 0.81 NPC1 (0.51) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL21834551 0.80 GRM1 (0.57) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL21834635 0.80 NPC1 (0.49) RAB9ANPC1LMNASMN1; SMN2MAPT

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-2020064175-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION ANTABIO SAS (FR) 2020-04-02 — — WO disclosed
Send feedback