SCHEMBL8666837

SCHEMBL8666837

O=C(C1CC(S(=O)(=O)c2ccccc2)C(c2ccccc2F)N1)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
CTSS P25774 5/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
CTSK P43235 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PHGDH O43175 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
FKBP1A P62942 1/20 0.35

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
SCHEMBL8665662 0.91 HDAC2 (0.40) CTSSCTSLCTSBSMN1; SMN2POLB
SCHEMBL8666857 0.82 KMT2A (0.38) POLBRAB9AALDH1A1MEN1KMT2A
SCHEMBL8871034 0.82 KMT2A (0.38) POLBRAB9AALDH1A1MEN1KMT2A
SCHEMBL8665746 0.82 ALDH1A1 (0.40) HTTSMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL8666307 0.82 GRM5 (0.38) CTSSCTSLCTSBSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8666991 0.81 KMT2A (0.37) POLBRAB9AALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL8683994 0.78 SMN1; SMN2 (0.38) SMN1; SMN2POLBALDH1A1HSD17B10
SCHEMBL8668534 0.78 SMN1; SMN2 (0.46) HTTSMN1; SMN2POLBRAB9AALDH1A1
SCHEMBL8685324 0.75 L3MBTL1 (0.38) POLBMEN1KMT2AKDM4E
SCHEMBL8689402 0.75 MEN1 (0.35) HTTPOLBALDH1A1MEN1KMT2A

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-5707991-A TREATMENT OF NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE RHONE-POULENC RORER S.A. (FR) 1998-01-13 US disclosed