SCHEMBL5670201

SCHEMBL5670201

Nc1nc2c(C(=O)O)cccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.59
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 1/20 0.54
PDE10A Q9Y233 1/20 0.54
CYP3A4 P08684 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
G6PD P11413 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
MMP2 P08253 1/20 0.42
NAPRT Q6XQN6 1/20 0.41
HPGD P15428 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 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
Bromide SCHEMBL5669202 0.98 PDPK1 (0.57) PDPK1ALDH1A1SMN1; SMN2LMNAPDE10A
SCHEMBL4470820 0.86 PDPK1 (0.59) PDPK1ALDH1A1SMN1; SMN2LMNAPDE10A
SCHEMBL9722753 0.81 CYP3A4 (0.56) PDPK1ALDH1A1SMN1; SMN2LMNAPDE10A
SCHEMBL29929393 0.81 ALDH1A1 (0.47) PDPK1ALDH1A1SMN1; SMN2LMNAG6PD
SCHEMBL1935472 0.79 ALDH1A1 (0.46) ALDH1A1LMNATDP1HPGDCA12
SCHEMBL3314508 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAPDE10AHPGD
SCHEMBL27773981 0.79 RAB9A (0.46) ALDH1A1SMN1; SMN2LMNAHPGDCA12
Hydrochloric Acid SCHEMBL10572818 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAPDE10AHPGD
SCHEMBL9722823 0.77 ALDH1A1 (0.53) PDPK1ALDH1A1SMN1; SMN2LMNAPDE10A
SCHEMBL2793048 0.77 ALDH1A1 (0.49) PDPK1ALDH1A1SMN1; SMN2LMNAPDE10A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060042678-A1 Photoelectric cell THE UNIVERSITY OF HULL (GB) 2006-03-02 US disclosed
CN-1666355-A Photoelectric cell UNIV HULL (GB) 2005-09-07 CN disclosed
EP-1532697-A2 PHOTOELECTRIC CELL The University of Hull (GB) 2005-05-25 EP disclosed
WO-2004004023-A2 PHOTOELECTRIC CELL THE UNIVERSITY OF HULL (GB) 2004-01-08 WO disclosed