SCHEMBL21834612

SCHEMBL21834612

CN1CCC(n2cc(-c3csc(N(C)C(=O)C4(CC(=O)O)Cc5ccccc5C4)n3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ UCHL1 P09936 2/20 0.39
▸ USP30 Q70CQ3 2/20 0.39
▸ EGFR P00533 5/20 0.38
▸ KDR P35968 2/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ DYRK1A Q13627 4/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ITGB3 P05106 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
SCHEMBL21834708 0.94 RAB9A (0.44) SMN1; SMN2NPC1RAB9ALMNAUCHL1
SCHEMBL21834566 0.87 RAB9A (0.47) SMN1; SMN2NPC1RAB9ALMNAUCHL1
SCHEMBL21812757 0.82 EGFR (0.39) EGFRKDRDYRK1AGSK3BWNT1
SCHEMBL21834671 0.80 NPC1 (0.43) SMN1; SMN2NPC1RAB9ALMNAUCHL1
SCHEMBL21834645 0.80 NPC1 (0.54) SMN1; SMN2NPC1RAB9ALMNAUCHL1
SCHEMBL21834561 0.79 NPC1 (0.49) SMN1; SMN2NPC1RAB9ALMNAUCHL1
SCHEMBL21834551 0.79 GRM1 (0.57) SMN1; SMN2NPC1RAB9ALMNAUCHL1
SCHEMBL21834573 0.78 NPC1 (0.56) SMN1; SMN2NPC1RAB9ALMNAUCHL1
SCHEMBL21834637 0.78 NPC1 (0.51) SMN1; SMN2NPC1RAB9ALMNAUCHL1
SCHEMBL21834679 0.76 RAB9A (0.43) SMN1; SMN2NPC1RAB9ALMNAUCHL1

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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