SCHEMBL21834643

SCHEMBL21834643

COc1cc(N2CCN(C)CC2)ccc1-c1csc(N(C)C(=O)C2(CC(=O)O)Cc3ccccc3C2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ UCHL1 P09936 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ DYRK1A Q13627 1/20 0.38
▸ HTR6 P50406 3/20 0.37
▸ IRAK4 Q9NWZ3 2/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ TNK2 Q07912 1/20 0.36
▸ CTSC P53634 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAP3K7 O43318 1/20 0.35
▸ BRD4 O60885 1/20 0.35

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
SCHEMBL21834629 0.89 UCHL1 (0.41) SMN1; SMN2RAB9ALMNANPC1MAPT
SCHEMBL21834645 0.85 NPC1 (0.54) SMN1; SMN2RAB9ALMNANPC1MAPT
SCHEMBL21834623 0.85 UCHL1 (0.49) SMN1; SMN2RAB9ALMNANPC1MAPT
SCHEMBL21812701 0.82 HTR6 (0.40) SMN1; SMN2RAB9ALMNANPC1MAPT
SCHEMBL21834678 0.81 PTPN1 (0.42) SMN1; SMN2RAB9ALMNAMAPTKMT2A
SCHEMBL21834630 0.81 DRD3 (0.41) SMN1; SMN2RAB9ALMNANPC1MAPT
SCHEMBL21834574 0.80 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ALMNANPC1MAPT
SCHEMBL21834607 0.79 MAPT (0.45) SMN1; SMN2RAB9ALMNANPC1MAPT
SCHEMBL21834679 0.79 RAB9A (0.43) SMN1; SMN2RAB9ALMNANPC1MAPT
SCHEMBL21834561 0.78 NPC1 (0.49) SMN1; SMN2RAB9ALMNANPC1MAPT

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
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