SCHEMBL8887464

SCHEMBL8887464

O=S(=O)(Cc1ccccc1)C1=NC=CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
POLB P06746 2/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
FAAH O00519 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
ELANE P08246 1/20 0.40
PRTN3 P24158 1/20 0.40
PRSS3 P35030 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 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
SCHEMBL9322782 0.69 TSHR (0.49) TSHRSMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL7410985 0.67 CA1 (0.44) TSHRSMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL3253244 0.67 TSHR (0.50) TSHRSMN1; SMN2POLBRAB9ACA2
Benzylsulfonylbenzene SCHEMBL780337 0.65 TSHR (0.68) TSHRSMN1; SMN2ALDH1A1MAPTCA2
Benzylsulfonylbenzene SCHEMBL1877584 0.64 TSHR (0.66) TSHRSMN1; SMN2ALDH1A1MAPTCA2
SCHEMBL10728701 0.63 ALDH1A1 (0.50) TSHRSMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL7905636 0.63 CA2 (0.58) TSHRSMN1; SMN2CA2CA1FAAH
SCHEMBL3626579 0.62 CA2 (0.52) TSHRSMN1; SMN2ALDH1A1MAPTCA2
SCHEMBL9870797 0.62 KMT2A (0.51) TSHRSMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL1911882 0.62 TSHR (0.58) TSHRSMN1; SMN2ALDH1A1MAPTPOLB

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
US-5627138-A HERBICIDES SANDOZ LTD. (CH) 1997-05-06 US disclosed