SCHEMBL21834561

SCHEMBL21834561

CN1CCN(c2ccc(-c3csc(N(C)C(=O)C4(CC(=O)O)Cc5ccccc5C4)n3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ FYN P06241 3/20 0.40
▸ MAPT P10636 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ATR Q13535 1/20 0.38
▸ TNKS O95271 1/20 0.37
▸ GRM1 Q13255 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ UCHL1 P09936 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ACVR1B P36896 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36

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
SCHEMBL21834645 0.89 NPC1 (0.54) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL21834566 0.82 RAB9A (0.47) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL21834646 0.82 RAB9A (0.53) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL21834580 0.82 KMT2A (0.49) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL21834637 0.82 NPC1 (0.51) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL21834635 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL21834551 0.81 GRM1 (0.57) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL21834701 0.80 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL21834573 0.80 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL21834549 0.80 GRM1 (0.52) NPC1RAB9ASMN1; SMN2LMNAMAPT

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