SCHEMBL17494990

SCHEMBL17494990

OCc1c(OCc2ccccc2)cc(Cl)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 2/20 0.46
▸ PLAU P00749 1/20 0.42
▸ PRMT5 O14744 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PTGER1 P34995 4/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ ATP4A P20648 1/20 0.40
▸ ATP4B P51164 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ FOLH1 Q04609 1/20 0.40

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
SCHEMBL26601809 0.86 RHEB (0.47) RHEBPLAUSMN1; SMN2STAT3HTT
SCHEMBL31517865 0.86 HTT (0.49) RHEBPLAUSMN1; SMN2STAT3HTT
SCHEMBL30666902 0.79 POLB (0.44) RHEBPLAUSMN1; SMN2NPC1NFKB1
SCHEMBL17494984 0.78 SMN1; SMN2 (0.39) RHEBPLAUPRMT5SMN1; SMN2STAT3
SCHEMBL17495074 0.75 RAB9A (0.52) SMN1; SMN2STAT3HTTPTGER1NPC1
SCHEMBL30403655 0.75 SQOR (0.49) SMN1; SMN2STAT3HTTNPC1RAB9A
SCHEMBL30522860 0.74 MAPT (0.46) PRMT5SMN1; SMN2STAT3HTTPTGER1
SCHEMBL28848218 0.74 MAPT (0.46) PRMT5SMN1; SMN2STAT3HTTPTGER1
SCHEMBL26601861 0.74 PTGDR2 (0.49) SMN1; SMN2STAT3HTTPTGER1MCL1
SCHEMBL17536018 0.74 S1PR4 (0.52) RHEBSMN1; SMN2PTGER1NPC1NFKB1

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-2016025933-A2 SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-02-18 — — WO disclosed
WO-2016025932-A1 SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-02-18 — — WO disclosed
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