SCHEMBL8922000

SCHEMBL8922000

CCOC(=O)CSCCCc1cncnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
ALDH1A1 P00352 7/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.36
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCNB3 Q8WWL7 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
SCHEMBL5023978 0.84 ALDH1A1 (0.49) LMNAALDH1A1GAAHTTHSD17B10
SCHEMBL11427621 0.84 L3MBTL1 (0.49) LMNAALDH1A1CTSLCTSBKMT2A
SCHEMBL11449287 0.79 ALOX5 (0.52) LMNAALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL5962623 0.79 CYP4F2 (0.50) ALDH1A1GAAHSD17B10KDM4ESMN1; SMN2
SCHEMBL8923083 0.79 TSHR (0.45) HSD17B10SMN1; SMN2MAPTTSHR
SCHEMBL4423244 0.77 CYP4F2 (0.57) LMNAALDH1A1HSD17B10KDM4ESMN1; SMN2
SCHEMBL11369770 0.75 ALDH1A1 (0.57) LMNAALDH1A1GAAHTTHSD17B10
SCHEMBL8863393 0.73 SMN1; SMN2 (0.46) LMNAGAAHSD17B10SMN1; SMN2MAPT
SCHEMBL1710113 0.72 CES1 (0.50) LMNAALDH1A1GAAHTTHSD17B10
SCHEMBL20841661 0.72 MGAM (0.52) LMNAALDH1A1GAAHTTHSD17B10

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-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed