SCHEMBL20198535

SCHEMBL20198535

O=S(=O)(c1ccccc1)N1CCN(I)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
PKM P14618 2/20 0.65
ALDH1A1 P00352 4/20 0.62
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.57
APOBEC3A P31941 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
GAA P10253 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MCOLN3 Q8TDD5 1/20 0.56
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.54

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
SCHEMBL3830424 0.89 POLB (0.80) POLBPKMALDH1A1LMNASMN1; SMN2
SCHEMBL7122592 0.89 POLB (0.80) POLBPKMALDH1A1LMNASMN1; SMN2
SCHEMBL735657 0.89 POLB (0.80) POLBPKMALDH1A1LMNASMN1; SMN2
SCHEMBL4526586 0.82 POLB (0.69) POLBPKMALDH1A1LMNASMN1; SMN2
SCHEMBL7469413 0.82 PKM (0.72) POLBPKMALDH1A1LMNASMN1; SMN2
SCHEMBL6805741 0.81 ALDH1A1 (0.81) POLBPKMALDH1A1LMNASMN1; SMN2
SCHEMBL1988224 0.81 ALDH1A1 (0.81) POLBPKMALDH1A1LMNASMN1; SMN2
SCHEMBL14470279 0.81 ALDH1A1 (0.75) POLBPKMALDH1A1LMNASMN1; SMN2
SCHEMBL19457355 0.81 PKM (0.73) POLBPKMALDH1A1LMNASMN1; SMN2
SCHEMBL20458879 0.80 POLB (0.67) POLBPKMALDH1A1LMNASMN1; SMN2

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
EP-3033336-B1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2018-05-30 EP disclosed